1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid

C12H11ClO3 — CID 115042902

IUPAC1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
SMILESO=C1CCC(C(=O)O)(c2ccccc2Cl)C1
InChIInChI=1S/C12H11ClO3/c13-10-4-2-1-3-9(10)12(11(15)16)6-5-8(14)7-12/h1-4H,5-7H2,(H,15,16)
InChIKeyUJFVKCCSUAIYAX-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid

1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid (PubChem CID 115042902) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
PubChem CID115042902
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Name1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
SMILESO=C1CCC(C(=O)O)(c2ccccc2Cl)C1
InChIInChI=1S/C12H11ClO3/c13-10-4-2-1-3-9(10)12(11(15)16)6-5-8(14)7-12/h1-4H,5-7H2,(H,15,16)
InChIKeyUJFVKCCSUAIYAX-UHFFFAOYSA-N
XLogP2.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
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3-(2-chlorophenyl)-1-prop-2-enoxycarbonylpyrrolidine-3-carboxylic acid
CID 167718262
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906471
1-(2-chloro-6-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
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3-amino-3-(2-chlorophenyl)cyclobutan-1-one
CID 115020473
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid (CID 115042902) is 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid is O=C1CCC(C(=O)O)(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid?
The InChIKey is UJFVKCCSUAIYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c13-10-4-2-1-3-9(10)12(11(15)16)6-5-8(14)7-12/h1-4H,5-7H2,(H,15,16).
What are the key properties of 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid?
1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid has a molecular weight of 238.67 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 115042902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).