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

C14H12O3 — CID 53218919

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

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

4-(3-hydroxy-5-methylphenyl)benzoic acid (PubChem CID 53218919) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-hydroxy-5-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(3-hydroxy-5-methylphenyl)benzoic acid
PubChem CID53218919
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-(3-hydroxy-5-methylphenyl)benzoic acid
SMILESCc1cc(O)cc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H12O3/c1-9-6-12(8-13(15)7-9)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyAVVUSHHPQIGLBW-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

4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
CID 139775356
5-(3-hydroxy-5-methylphenyl)-2-methylbenzoic acid
CID 155571081
4-[4-(3-hydroxy-5-methoxycarbonylphenyl)phenyl]benzoic acid
CID 167869556
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
4-methylbenzoic acid;3-methylphenol
CID 159152247
sodium 4-methylbenzoic acid
CID 164511663
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
4-[2-amino-3,5-bis(4-methylphenyl)phenyl]benzoic acid
CID 144851372

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-5-methylphenyl)benzoic acid?
The IUPAC name of 4-(3-hydroxy-5-methylphenyl)benzoic acid (CID 53218919) is 4-(3-hydroxy-5-methylphenyl)benzoic acid.
What is the SMILES notation for 4-(3-hydroxy-5-methylphenyl)benzoic acid?
The canonical SMILES for 4-(3-hydroxy-5-methylphenyl)benzoic acid is Cc1cc(O)cc(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(3-hydroxy-5-methylphenyl)benzoic acid?
The InChIKey is AVVUSHHPQIGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-6-12(8-13(15)7-9)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 4-(3-hydroxy-5-methylphenyl)benzoic acid?
4-(3-hydroxy-5-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-(3-hydroxy-5-methylphenyl)benzoic acid is sourced from PubChem (CID 53218919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).