3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid

C16H16O3 — CID 114103412

IUPAC3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(C(=O)O)cc2O)cc1C
InChIInChI=1S/C16H16O3/c1-9-6-11(3)14(7-10(9)2)13-5-4-12(16(18)19)8-15(13)17/h4-8,17H,1-3H3,(H,18,19)
InChIKeyZFEARXWDNYGDHT-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.68
Rot. Bonds2

About 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid

3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid (PubChem CID 114103412) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
PubChem CID114103412
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(C(=O)O)cc2O)cc1C
InChIInChI=1S/C16H16O3/c1-9-6-11(3)14(7-10(9)2)13-5-4-12(16(18)19)8-15(13)17/h4-8,17H,1-3H3,(H,18,19)
InChIKeyZFEARXWDNYGDHT-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid
CID 114103570
3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
CID 82293341
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
5-fluoro-2-(2,4,5-trimethylphenyl)phenol
CID 83129935
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid?
The IUPAC name of 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid (CID 114103412) is 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid?
The canonical SMILES for 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid is Cc1cc(C)c(-c2ccc(C(=O)O)cc2O)cc1C.
What is the InChIKey of 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid?
The InChIKey is ZFEARXWDNYGDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-9-6-11(3)14(7-10(9)2)13-5-4-12(16(18)19)8-15(13)17/h4-8,17H,1-3H3,(H,18,19).
What are the key properties of 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid?
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid is sourced from PubChem (CID 114103412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).