Ethyl 2-(2-methyl-6-propanoylphenyl)acetate

Name: Ethyl 2-(2-methyl-6-propanoylphenyl)acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₈O₃ — CID 134614867

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

IUPACethyl 2-(2-methyl-6-propanoylphenyl)acetate

SMILESCCOC(=O)Cc1c(C)cccc1C(=O)CC

InChIInChI=1S/C14H18O3/c1-4-13(15)11-8-6-7-10(3)12(11)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3

InChIKeyTUXDSAJDPZMOQS-UHFFFAOYSA-N

MW234.29 g/mol

LogP2.69

Rot. Bonds5

About Ethyl 2-(2-methyl-6-propanoylphenyl)acetate

Ethyl 2-(2-methyl-6-propanoylphenyl)acetate (PubChem CID 134614867) has the molecular formula C₁₄H₁₈O₃ and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-(2-methyl-6-propanoylphenyl)acetate.

Molecular Properties

Compound Name	Ethyl 2-(2-methyl-6-propanoylphenyl)acetate
PubChem CID	134614867
Molecular Formula	C₁₄H₁₈O₃
Molecular Weight	234.29 g/mol
Exact Mass	234.13
IUPAC Name	ethyl 2-(2-methyl-6-propanoylphenyl)acetate
SMILES	CCOC(=O)Cc1c(C)cccc1C(=O)CC
InChI	InChI=1S/C14H18O3/c1-4-13(15)11-8-6-7-10(3)12(11)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKey	TUXDSAJDPZMOQS-UHFFFAOYSA-N
XLogP	2.69
TPSA	43.37 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.29
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-(2-methyl-6-propanoylphenyl)acetate?

The IUPAC name of Ethyl 2-(2-methyl-6-propanoylphenyl)acetate (CID 134614867) is ethyl 2-(2-methyl-6-propanoylphenyl)acetate.

What is the SMILES notation for Ethyl 2-(2-methyl-6-propanoylphenyl)acetate?

The canonical SMILES for Ethyl 2-(2-methyl-6-propanoylphenyl)acetate is CCOC(=O)Cc1c(C)cccc1C(=O)CC.

What is the InChIKey of Ethyl 2-(2-methyl-6-propanoylphenyl)acetate?

The InChIKey is TUXDSAJDPZMOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-13(15)11-8-6-7-10(3)12(11)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3.

What are the key properties of Ethyl 2-(2-methyl-6-propanoylphenyl)acetate?

Ethyl 2-(2-methyl-6-propanoylphenyl)acetate has a molecular weight of 234.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-(2-methyl-6-propanoylphenyl)acetate is sourced from PubChem (CID 134614867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134614867 — identifiers, structure, computed properties (public domain)

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