AB68824
4541-15-5 | 5-Benzyloxy-1-pentanol
Manufacturer: A2B Chem
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CatalogNumber
AB68824
ChemicalName
5-Benzyloxy-1-pentanol
CasNumber
4541-15-5
MolecularFormula
C12H18O2
MolecularWeight
194.2701
MdlNumber
MFCD00216583
Smiles
OCCCCCOCc1ccccc1
NscNumber
5422
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
2
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CatalogNumber: AB68824
ChemicalName: 5-Benzyloxy-1-pentanol
CasNumber: 4541-15-5
MolecularFormula: C12H18O2
MolecularWeight: 194.2701
MdlNumber: MFCD00216583
Smiles: OCCCCCOCc1ccccc1
NscNumber: 5422
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2
CatalogNumber:
AB68824
ChemicalName:
5-Benzyloxy-1-pentanol
CasNumber:
4541-15-5
MolecularFormula:
C12H18O2
MolecularWeight:
194.2701
MdlNumber:
MFCD00216583
Smiles:
OCCCCCOCc1ccccc1
NscNumber:
5422
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2
CatalogNumber: AB68825
ChemicalName: 4-(Benzyloxy)-2-methyl-1-nitrobenzene
CasNumber: 22424-58-4
MolecularFormula: C14H13NO3
MolecularWeight: 243.2579
MdlNumber: MFCD00024269
Smiles: [O-][N+](=O)c1ccc(cc1C)OCc1ccccc1
NscNumber: 86149
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.3
CatalogNumber:
AB68825
ChemicalName:
4-(Benzyloxy)-2-methyl-1-nitrobenzene
CasNumber:
22424-58-4
MolecularFormula:
C14H13NO3
MolecularWeight:
243.2579
MdlNumber:
MFCD00024269
Smiles:
[O-][N+](=O)c1ccc(cc1C)OCc1ccccc1
NscNumber:
86149
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(C(=O)O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(C(=O)O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__