1-(3-chlorophenyl)cyclopentane-1-carboxylate

C12H12ClO2- — CID 26365664

IUPAC1-(3-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C([O-])C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15)/p-1
InChIKeyGGEPQYZXKVJSEX-UHFFFAOYSA-M
MW223.68 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-chlorophenyl)cyclopentane-1-carboxylate

1-(3-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 26365664) has the molecular formula C12H12ClO2- and a molecular weight of 223.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-(3-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID26365664
Molecular FormulaC12H12ClO2-
Molecular Weight223.68 g/mol
Exact Mass223.05
IUPAC Name1-(3-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C([O-])C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15)/p-1
InChIKeyGGEPQYZXKVJSEX-UHFFFAOYSA-M
XLogP1.90
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-1H-pyrrole-2-carbohydrazide
CID 78872634
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of 1-(3-chlorophenyl)cyclopentane-1-carboxylate (CID 26365664) is 1-(3-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 1-(3-chlorophenyl)cyclopentane-1-carboxylate is O=C([O-])C1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is GGEPQYZXKVJSEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13ClO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15)/p-1.
What are the key properties of 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
1-(3-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 223.68 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 26365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).