ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate

C12H13ClO2 — CID 533756

IUPACethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO2/c1-2-15-12(14)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3
InChIKeyMBJPATUIODMIKJ-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate

ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 533756) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID533756
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Nameethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO2/c1-2-15-12(14)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3
InChIKeyMBJPATUIODMIKJ-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate 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)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 533756) is ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is MBJPATUIODMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-12(14)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 224.69 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)cyclopropane-1-carboxylate is sourced from PubChem (CID 533756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).