4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid

C15H14O3 — CID 10633904

IUPAC4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(CO)ccc1C(=O)O
InChIInChI=1S/C15H14O3/c1-10-4-2-3-5-12(10)14-8-11(9-16)6-7-13(14)15(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyDHYXFCNHFYTSBY-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.85
Rot. Bonds3

About 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid

4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid (PubChem CID 10633904) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
PubChem CID10633904
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(CO)ccc1C(=O)O
InChIInChI=1S/C15H14O3/c1-10-4-2-3-5-12(10)14-8-11(9-16)6-7-13(14)15(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyDHYXFCNHFYTSBY-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

4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
2-(2-methylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid
CID 54076744
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
1-[4-ethyl-2-(2-methylphenyl)phenyl]ethanone
CID 20665286
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
CID 66966199
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-[[(2R)-3-cyclohexyl-2-hydroxypropoxy]methyl]-2-(2-methylphenyl)benzoic acid
CID 70222866
4-[[butyl(furan-2-ylmethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
CID 18361003
4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid
CID 22014377
methyl 2-(2-methylphenyl)-4-(3-oxopropyl)benzoate
CID 57234308

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid?
The IUPAC name of 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid (CID 10633904) is 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid?
The canonical SMILES for 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid is Cc1ccccc1-c1cc(CO)ccc1C(=O)O.
What is the InChIKey of 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid?
The InChIKey is DHYXFCNHFYTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-4-2-3-5-12(10)14-8-11(9-16)6-7-13(14)15(17)18/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid?
4-(hydroxymethyl)-2-(2-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 4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid is sourced from PubChem (CID 10633904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).