2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid

C15H14O3 — CID 66966199

IUPAC2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
SMILESCc1cccc(-c2ccccc2C(=O)O)c1CO
InChIInChI=1S/C15H14O3/c1-10-5-4-8-12(14(10)9-16)11-6-2-3-7-13(11)15(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyHFSPPZIECVWCHN-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.85
Rot. Bonds3

About 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid

2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid (PubChem CID 66966199) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
PubChem CID66966199
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
SMILESCc1cccc(-c2ccccc2C(=O)O)c1CO
InChIInChI=1S/C15H14O3/c1-10-5-4-8-12(14(10)9-16)11-6-2-3-7-13(11)15(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyHFSPPZIECVWCHN-UHFFFAOYSA-N
XLogP2.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethylphenyl)methyl]benzoic acid
CID 158215525
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
1-[3-[2-(hydroxymethyl)-3-methylphenyl]phenyl]cyclopropane-1-carboxylic acid
CID 167841233
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-[2-(bromomethyl)phenyl]-3-methylbenzoic acid
CID 68554769
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-(2-propanoylphenyl)benzoic acid
CID 15194783

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid (CID 66966199) is 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid is Cc1cccc(-c2ccccc2C(=O)O)c1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid?
The InChIKey is HFSPPZIECVWCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-5-4-8-12(14(10)9-16)11-6-2-3-7-13(11)15(17)18/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid?
2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid is sourced from PubChem (CID 66966199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).