1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid

C13H14Cl2O3 — CID 117466954

IUPAC1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(Cl)cc(C2(C(=O)O)CCCC2)c1Cl
InChIInChI=1S/C13H14Cl2O3/c1-18-10-7-8(14)6-9(11(10)15)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyCGQKZDBRKYEGJZ-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid

1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117466954) has the molecular formula C13H14Cl2O3 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117466954
Molecular FormulaC13H14Cl2O3
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(Cl)cc(C2(C(=O)O)CCCC2)c1Cl
InChIInChI=1S/C13H14Cl2O3/c1-18-10-7-8(14)6-9(11(10)15)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyCGQKZDBRKYEGJZ-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117454527
1-(5-chloro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394916
1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
CID 117497834
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481216
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(5-chloro-2-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394985

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid (CID 117466954) is 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid is COc1cc(Cl)cc(C2(C(=O)O)CCCC2)c1Cl.
What is the InChIKey of 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is CGQKZDBRKYEGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O3/c1-18-10-7-8(14)6-9(11(10)15)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 289.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117466954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).