ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate

C12H12Cl2O2 — CID 105426581

IUPACethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H12Cl2O2/c1-2-16-11(15)12(5-6-12)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyPFEYJZYKQZDGQE-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.59
Rot. Bonds3

About ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate

ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate (PubChem CID 105426581) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
PubChem CID105426581
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Nameethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H12Cl2O2/c1-2-16-11(15)12(5-6-12)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyPFEYJZYKQZDGQE-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 1-(3,4-dichlorophenyl)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

Related Compounds

ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 2-(3,4-dichlorophenyl)-3,3-dimethyloxirane-2-carboxylate
CID 10517514
ethyl 1-(3,4-dichlorophenyl)-2-oxocyclohexane-1-carboxylate
CID 58954927
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
ethyl 1-[4-[5-(3-amino-5-chlorothiophen-2-yl)-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
CID 90264775
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate (CID 105426581) is ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is PFEYJZYKQZDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-2-16-11(15)12(5-6-12)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate?
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 259.13 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 105426581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).