2-(3-methylphenyl)acetic acid

C9H10O2 — CID 12121

IUPAC2-(3-methylphenyl)acetic acid
SMILESCc1cccc(CC(=O)O)c1
InChIInChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyGJMPSRSMBJLKKB-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.62
Rot. Bonds2

About 2-(3-methylphenyl)acetic acid

2-(3-methylphenyl)acetic acid (PubChem CID 12121) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)acetic acid
PubChem CID12121
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-(3-methylphenyl)acetic acid
SMILESCc1cccc(CC(=O)O)c1
InChIInChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyGJMPSRSMBJLKKB-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenylacetic Acid
CID 999
4-Phenylbutyric Acid
CID 4775
Ibuprofen, (+-)-
CID 3672
Phenylpyruvic acid
CID 997
Ketoprofen
CID 3825
1-Naphthaleneacetic Acid
CID 6862
Benzenepropanoic acid
CID 107
Felbinac
CID 3332
Flurbiprofen
CID 3394
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Sodium Phenylbutyrate
CID 5258

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)acetic acid?
The IUPAC name of 2-(3-methylphenyl)acetic acid (CID 12121) is 2-(3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-methylphenyl)acetic acid is Cc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-methylphenyl)acetic acid?
The InChIKey is GJMPSRSMBJLKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(3-methylphenyl)acetic acid?
2-(3-methylphenyl)acetic acid has a molecular weight of 150.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)acetic acid is sourced from PubChem (CID 12121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).