2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid

C14H17ClO3 — CID 82487741

IUPAC2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
SMILESCOc1ccc(C(C(=O)O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO3/c1-18-10-6-7-11(12(15)8-10)13(14(16)17)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3,(H,16,17)
InChIKeyFQFJENYMARNRLH-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid

2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid (PubChem CID 82487741) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
PubChem CID82487741
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
SMILESCOc1ccc(C(C(=O)O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO3/c1-18-10-6-7-11(12(15)8-10)13(14(16)17)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3,(H,16,17)
InChIKeyFQFJENYMARNRLH-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
3-amino-3-(2-chloro-4-methoxyphenyl)-2-(methylamino)propanoic acid
CID 116946910

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid (CID 82487741) is 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid is COc1ccc(C(C(=O)O)C2CCCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid?
The InChIKey is FQFJENYMARNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-18-10-6-7-11(12(15)8-10)13(14(16)17)9-4-2-3-5-9/h6-9,13H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid?
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid has a molecular weight of 268.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid is sourced from PubChem (CID 82487741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).