2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid

C11H14O3 — CID 22418915

IUPAC2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(CO)C(=O)O
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-9(8)6-10(7-12)11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyVVGLMCYCYVMJQY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.23
Rot. Bonds4

About 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid

2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid (PubChem CID 22418915) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
PubChem CID22418915
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(CO)C(=O)O
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-9(8)6-10(7-12)11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyVVGLMCYCYVMJQY-UHFFFAOYSA-N
XLogP1.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-2-[(2-methylphenyl)methyl]butanoic acid
CID 79419142
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
2-[(2-methylphenyl)methyl]hex-4-enoic acid
CID 79421153
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
2-[(2-methylphenyl)methyl]-4-phenylsulfanylbutanoic acid
CID 79227289
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793492
2-[(2-chloro-4-methylphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 106865391
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 65098146
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 102856635

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid (CID 22418915) is 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1CC(CO)C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is VVGLMCYCYVMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-2-3-5-9(8)6-10(7-12)11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid?
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 22418915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).