AA36296
1261922-05-7 | 3-(2,5-Dimethylphenyl)-2-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36296
ChemicalName
3-(2,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber
1261922-05-7
MolecularFormula
C16H16O2
MolecularWeight
240.297
MdlNumber
MFCD18319288
Smiles
Cc1ccc(c(c1)c1cccc(c1C)C(=O)O)C
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.2
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CatalogNumber: AA36296
ChemicalName: 3-(2,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber: 1261922-05-7
MolecularFormula: C16H16O2
MolecularWeight: 240.297
MdlNumber: MFCD18319288
Smiles: Cc1ccc(c(c1)c1cccc(c1C)C(=O)O)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AA36296
ChemicalName:
3-(2,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber:
1261922-05-7
MolecularFormula:
C16H16O2
MolecularWeight:
240.297
MdlNumber:
MFCD18319288
Smiles:
Cc1ccc(c(c1)c1cccc(c1C)C(=O)O)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: AA36297
ChemicalName: 4-(3-Fluoro-5-methoxycarbonylphenyl)phenol
CasNumber: 1261921-87-2
MolecularFormula: C14H11FO3
MolecularWeight: 246.2337
MdlNumber: MFCD18312975
Smiles: COC(=O)c1cc(F)cc(c1)c1ccc(cc1)O
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA36297
ChemicalName:
4-(3-Fluoro-5-methoxycarbonylphenyl)phenol
CasNumber:
1261921-87-2
MolecularFormula:
C14H11FO3
MolecularWeight:
246.2337
MdlNumber:
MFCD18312975
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccc(cc1)O
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: AA36298
ChemicalName: 2-[4-(N,N-Dimethylaminocarbonyl)phenyl]phenol
CasNumber: 1261921-61-2
MolecularFormula: C15H15NO2
MolecularWeight: 241.2851
MdlNumber: MFCD18312957
Smiles: CN(C(=O)c1ccc(cc1)c1ccccc1O)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA36298
ChemicalName:
2-[4-(N,N-Dimethylaminocarbonyl)phenyl]phenol
CasNumber:
1261921-61-2
MolecularFormula:
C15H15NO2
MolecularWeight:
241.2851
MdlNumber:
MFCD18312957
Smiles:
CN(C(=O)c1ccc(cc1)c1ccccc1O)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: Clc1ccc(cc1)c1cccc(c1C(=O)O)F
Complexity: __
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Smiles:
Clc1ccc(cc1)c1cccc(c1C(=O)O)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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