(4-ethylphenyl)methyl acetate

C11H14O2 — CID 12732713

IUPAC(4-ethylphenyl)methyl acetate
SMILESCCc1ccc(COC(C)=O)cc1
InChIInChI=1S/C11H14O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h4-7H,3,8H2,1-2H3
InChIKeyIMQVSQQYENMRCT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.31
Rot. Bonds3

About (4-ethylphenyl)methyl acetate

(4-ethylphenyl)methyl acetate (PubChem CID 12732713) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4-ethylphenyl)methyl acetate.

Molecular Properties

Compound Name(4-ethylphenyl)methyl acetate
PubChem CID12732713
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4-ethylphenyl)methyl acetate
SMILESCCc1ccc(COC(C)=O)cc1
InChIInChI=1S/C11H14O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h4-7H,3,8H2,1-2H3
InChIKeyIMQVSQQYENMRCT-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-ethylphenyl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl acetate?
The IUPAC name of (4-ethylphenyl)methyl acetate (CID 12732713) is (4-ethylphenyl)methyl acetate.
What is the SMILES notation for (4-ethylphenyl)methyl acetate?
The canonical SMILES for (4-ethylphenyl)methyl acetate is CCc1ccc(COC(C)=O)cc1.
What is the InChIKey of (4-ethylphenyl)methyl acetate?
The InChIKey is IMQVSQQYENMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h4-7H,3,8H2,1-2H3.
What are the key properties of (4-ethylphenyl)methyl acetate?
(4-ethylphenyl)methyl acetate has a molecular weight of 178.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl acetate is sourced from PubChem (CID 12732713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).