2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid

Name: 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₄O₃ — CID 134620938

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid

SMILESCC(=O)Cc1cccc(CC(=O)O)c1C

InChIInChI=1S/C12H14O3/c1-8(13)6-10-4-3-5-11(9(10)2)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)

InChIKeyLAYQEILSSSXKCU-UHFFFAOYSA-N

MW206.24 g/mol

LogP1.75

Rot. Bonds4

About 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid

2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid (PubChem CID 134620938) has the molecular formula C₁₂H₁₄O₃ and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name	2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
PubChem CID	134620938
Molecular Formula	C₁₂H₁₄O₃
Molecular Weight	206.24 g/mol
Exact Mass	206.09
IUPAC Name	2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
SMILES	CC(=O)Cc1cccc(CC(=O)O)c1C
InChI	InChI=1S/C12H14O3/c1-8(13)6-10-4-3-5-11(9(10)2)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKey	LAYQEILSSSXKCU-UHFFFAOYSA-N
XLogP	1.75
TPSA	54.37 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.24
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid?

The IUPAC name of 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid (CID 134620938) is 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid.

What is the SMILES notation for 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid?

The canonical SMILES for 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid is CC(=O)Cc1cccc(CC(=O)O)c1C.

What is the InChIKey of 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid?

The InChIKey is LAYQEILSSSXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(13)6-10-4-3-5-11(9(10)2)7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).

What are the key properties of 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid?

2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid is sourced from PubChem (CID 134620938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134620938 — identifiers, structure, computed properties (public domain)

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