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

C14H12O3 — CID 15389812

IUPAC4-(4-hydroxy-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2)ccc1O
InChIInChI=1S/C14H12O3/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyXMTQOHCLMOKJEV-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.07
Rot. Bonds2

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

4-(4-hydroxy-3-methylphenyl)benzoic acid (PubChem CID 15389812) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)benzoic acid
PubChem CID15389812
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-(4-hydroxy-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2)ccc1O
InChIInChI=1S/C14H12O3/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyXMTQOHCLMOKJEV-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128
3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 70424443
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
4-(3-hydroxy-5-methylphenyl)benzoic acid
CID 53218919
benzoic acid;2-methylphenol
CID 163780186
4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
CID 139775356
4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid
CID 139839153
4-[3-[[3-[[5-(4-carboxyphenyl)-2-hydroxyphenyl]methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]-4-hydroxyphenyl]benzoic acid
CID 136845825
4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
CID 139839146

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)benzoic acid?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)benzoic acid (CID 15389812) is 4-(4-hydroxy-3-methylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)benzoic acid?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)benzoic acid is Cc1cc(-c2ccc(C(=O)O)cc2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)benzoic acid?
The InChIKey is XMTQOHCLMOKJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 4-(4-hydroxy-3-methylphenyl)benzoic acid?
4-(4-hydroxy-3-methylphenyl)benzoic acid has a molecular weight of 228.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)benzoic acid is sourced from PubChem (CID 15389812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).