2-hydroxy-3-methyl-4-phenylbenzoic acid

C14H12O3 — CID 71254441

IUPAC2-hydroxy-3-methyl-4-phenylbenzoic acid
SMILESCc1c(-c2ccccc2)ccc(C(=O)O)c1O
InChIInChI=1S/C14H12O3/c1-9-11(10-5-3-2-4-6-10)7-8-12(13(9)15)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyQFAPJKSNMVVOGG-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.07
Rot. Bonds2

About 2-hydroxy-3-methyl-4-phenylbenzoic acid

2-hydroxy-3-methyl-4-phenylbenzoic acid (PubChem CID 71254441) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-4-phenylbenzoic acid
PubChem CID71254441
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-hydroxy-3-methyl-4-phenylbenzoic acid
SMILESCc1c(-c2ccccc2)ccc(C(=O)O)c1O
InChIInChI=1S/C14H12O3/c1-9-11(10-5-3-2-4-6-10)7-8-12(13(9)15)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyQFAPJKSNMVVOGG-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-4-phenylbenzoic acid?
The IUPAC name of 2-hydroxy-3-methyl-4-phenylbenzoic acid (CID 71254441) is 2-hydroxy-3-methyl-4-phenylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-4-phenylbenzoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-4-phenylbenzoic acid is Cc1c(-c2ccccc2)ccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-4-phenylbenzoic acid?
The InChIKey is QFAPJKSNMVVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-11(10-5-3-2-4-6-10)7-8-12(13(9)15)14(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-hydroxy-3-methyl-4-phenylbenzoic acid?
2-hydroxy-3-methyl-4-phenylbenzoic 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 2-hydroxy-3-methyl-4-phenylbenzoic acid is sourced from PubChem (CID 71254441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).