3-(3-hydroxyphenyl)-2-methylbenzoic acid

C14H12O3 — CID 53224960

IUPAC3-(3-hydroxyphenyl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-c1cccc(O)c1
InChIInChI=1S/C14H12O3/c1-9-12(6-3-7-13(9)14(16)17)10-4-2-5-11(15)8-10/h2-8,15H,1H3,(H,16,17)
InChIKeyOTLSVUYMYCCVEK-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.07
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2-methylbenzoic acid

3-(3-hydroxyphenyl)-2-methylbenzoic acid (PubChem CID 53224960) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-methylbenzoic acid
PubChem CID53224960
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-(3-hydroxyphenyl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-c1cccc(O)c1
InChIInChI=1S/C14H12O3/c1-9-12(6-3-7-13(9)14(16)17)10-4-2-5-11(15)8-10/h2-8,15H,1H3,(H,16,17)
InChIKeyOTLSVUYMYCCVEK-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

3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
3-(3,5-dimethylphenyl)-2-methylbenzoic acid
CID 53225284
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
3-(3-cyclopropyloxyphenyl)-2-methylbenzoic acid
CID 114522408
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
2-(3-hydroxyphenyl)-N,N-dimethylbenzamide
CID 39746103
3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
CID 176508639
2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
CID 146356534
3-(2,3,4-trimethylphenyl)phenol
CID 101298831
2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228867

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-methylbenzoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-methylbenzoic acid (CID 53224960) is 3-(3-hydroxyphenyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-methylbenzoic acid is Cc1c(C(=O)O)cccc1-c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-methylbenzoic acid?
The InChIKey is OTLSVUYMYCCVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-12(6-3-7-13(9)14(16)17)10-4-2-5-11(15)8-10/h2-8,15H,1H3,(H,16,17).
What are the key properties of 3-(3-hydroxyphenyl)-2-methylbenzoic acid?
3-(3-hydroxyphenyl)-2-methylbenzoic 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 3-(3-hydroxyphenyl)-2-methylbenzoic acid is sourced from PubChem (CID 53224960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).