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

C12H13ClO2 — CID 14774392

IUPACethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO2/c1-2-15-11(14)12(7-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyDCGIXWUXINDLMC-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.93
Rot. Bonds3

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

ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 14774392) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID14774392
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Nameethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO2/c1-2-15-11(14)12(7-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyDCGIXWUXINDLMC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 14774392) is ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is DCGIXWUXINDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-11(14)12(7-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 224.69 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 14774392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).