2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate

C14H14Cl2O3 — CID 87512433

IUPAC2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOc1ccc(C2(C(=O)OC=C(Cl)Cl)CC2)cc1
InChIInChI=1S/C14H14Cl2O3/c1-2-18-11-5-3-10(4-6-11)14(7-8-14)13(17)19-9-12(15)16/h3-6,9H,2,7-8H2,1H3
InChIKeyWIRKIPOBWHOLGR-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.94
Rot. Bonds5

About 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate

2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate (PubChem CID 87512433) has the molecular formula C14H14Cl2O3 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
PubChem CID87512433
Molecular FormulaC14H14Cl2O3
Molecular Weight301.17 g/mol
Exact Mass300.03
IUPAC Name2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOc1ccc(C2(C(=O)OC=C(Cl)Cl)CC2)cc1
InChIInChI=1S/C14H14Cl2O3/c1-2-18-11-5-3-10(4-6-11)14(7-8-14)13(17)19-9-12(15)16/h3-6,9H,2,7-8H2,1H3
InChIKeyWIRKIPOBWHOLGR-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
[1-(4-ethoxyphenyl)cyclobutyl] formate
CID 57134762
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(4-ethoxyphenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide
CID 178099713
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate
CID 54288369

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate (CID 87512433) is 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate is CCOc1ccc(C2(C(=O)OC=C(Cl)Cl)CC2)cc1.
What is the InChIKey of 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is WIRKIPOBWHOLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O3/c1-2-18-11-5-3-10(4-6-11)14(7-8-14)13(17)19-9-12(15)16/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate?
2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 301.17 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 87512433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).