AI52020
537-42-8 | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Manufacturer: A2B Chem
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CatalogNumber
AI52020
ChemicalName
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
CasNumber
537-42-8
MolecularFormula
C16H16O3
MolecularWeight
256.2964
MdlNumber
MFCD00238710
Smiles
COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC
NscNumber
613735
Complexity
270
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.8
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CatalogNumber: AI52020
ChemicalName: 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
CasNumber: 537-42-8
MolecularFormula: C16H16O3
MolecularWeight: 256.2964
MdlNumber: MFCD00238710
Smiles: COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC
NscNumber: 613735
Complexity: 270
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AI52020
ChemicalName:
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
CasNumber:
537-42-8
MolecularFormula:
C16H16O3
MolecularWeight:
256.2964
MdlNumber:
MFCD00238710
Smiles:
COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC
NscNumber:
613735
Complexity:
270
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(Cc1ccc(cc1)O)NC(=O)C
NscNumber: __
Complexity: 259
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(Cc1ccc(cc1)O)NC(=O)C
NscNumber:
__
Complexity:
259
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AI52022
ChemicalName: Ferulic acid
CasNumber: 537-98-4
MolecularFormula: C10H10O4
MolecularWeight: 194.18400000000003
MdlNumber: MFCD00004400
Smiles: COc1cc(/C=C/C(=O)O)ccc1O
NscNumber: __
Complexity: 224
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI52022
ChemicalName:
Ferulic acid
CasNumber:
537-98-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.18400000000003
MdlNumber:
MFCD00004400
Smiles:
COc1cc(/C=C/C(=O)O)ccc1O
NscNumber:
__
Complexity:
224
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AI52023
ChemicalName: 4-Bromo-2,6-difluorobenzaldehyde
CasNumber: 537013-51-7
MolecularFormula: C7H3BrF2O
MolecularWeight: 220.9989
MdlNumber: MFCD03094459
Smiles: O=Cc1c(F)cc(cc1F)Br
NscNumber: __
Complexity: 141
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI52023
ChemicalName:
4-Bromo-2,6-difluorobenzaldehyde
CasNumber:
537013-51-7
MolecularFormula:
C7H3BrF2O
MolecularWeight:
220.9989
MdlNumber:
MFCD03094459
Smiles:
O=Cc1c(F)cc(cc1F)Br
NscNumber:
__
Complexity:
141
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3