ethyl 2-(4-chlorophenyl)propanoate

C11H13ClO2 — CID 10867613

IUPACethyl 2-(4-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3
InChIKeyDUULPQQRENUTLA-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)propanoate

ethyl 2-(4-chlorophenyl)propanoate (PubChem CID 10867613) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)propanoate
PubChem CID10867613
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Nameethyl 2-(4-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3
InChIKeyDUULPQQRENUTLA-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-(4-chlorophenyl)propanoate 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 ethyl 2-(4-chlorophenyl)propanoate?
The IUPAC name of ethyl 2-(4-chlorophenyl)propanoate (CID 10867613) is ethyl 2-(4-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)propanoate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)propanoate is CCOC(=O)C(C)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)propanoate?
The InChIKey is DUULPQQRENUTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)propanoate?
ethyl 2-(4-chlorophenyl)propanoate has a molecular weight of 212.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)propanoate is sourced from PubChem (CID 10867613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).