3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid

C14H15ClO4 — CID 103551811

IUPAC3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(Cl)cc1C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C14H15ClO4/c1-19-12-5-4-10(15)7-11(12)13(16)8-2-3-9(6-8)14(17)18/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)
InChIKeyODNHQGUIEODJDI-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.03
Rot. Bonds4

About 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid

3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 103551811) has the molecular formula C14H15ClO4 and a molecular weight of 282.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
PubChem CID103551811
Molecular FormulaC14H15ClO4
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(Cl)cc1C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C14H15ClO4/c1-19-12-5-4-10(15)7-11(12)13(16)8-2-3-9(6-8)14(17)18/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)
InChIKeyODNHQGUIEODJDI-UHFFFAOYSA-N
XLogP3.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114975303
3-[(5-chloro-2-methoxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 166249845
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid (CID 103551811) is 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid is COc1ccc(Cl)cc1C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is ODNHQGUIEODJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO4/c1-19-12-5-4-10(15)7-11(12)13(16)8-2-3-9(6-8)14(17)18/h4-5,7-9H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 282.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).