4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid

C21H16O4 — CID 139839153

IUPAC4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2)cc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C21H16O4/c1-13-11-17(14-7-9-16(10-8-14)21(24)25)12-18(19(13)22)20(23)15-5-3-2-4-6-15/h2-12,22H,1H3,(H,24,25)
InChIKeyKMAJPSFORWFDIS-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.30
Rot. Bonds4

About 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid

4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid (PubChem CID 139839153) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid
PubChem CID139839153
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2)cc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C21H16O4/c1-13-11-17(14-7-9-16(10-8-14)21(24)25)12-18(19(13)22)20(23)15-5-3-2-4-6-15/h2-12,22H,1H3,(H,24,25)
InChIKeyKMAJPSFORWFDIS-UHFFFAOYSA-N
XLogP4.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-benzoyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 139838992
(2-hydroxy-3,5-dimethylphenyl)-(4-methylphenyl)methanone
CID 13251027
4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide
CID 91471780
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
benzoic acid;4-methylbenzoic acid
CID 71272637
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
phenyl-(4-phenylphenyl)methanone
CID 155775877
[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethanone
CID 15262738

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid?
The IUPAC name of 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid (CID 139839153) is 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid.
What is the SMILES notation for 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid?
The canonical SMILES for 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid is Cc1cc(-c2ccc(C(=O)O)cc2)cc(C(=O)c2ccccc2)c1O.
What is the InChIKey of 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid?
The InChIKey is KMAJPSFORWFDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-13-11-17(14-7-9-16(10-8-14)21(24)25)12-18(19(13)22)20(23)15-5-3-2-4-6-15/h2-12,22H,1H3,(H,24,25).
What are the key properties of 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid?
4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid is sourced from PubChem (CID 139839153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).