1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid

C15H19ClO3 — CID 117454527

IUPAC1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCCc1c(OC)cc(Cl)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C15H19ClO3/c1-3-11-12(8-10(16)9-13(11)19-2)15(14(17)18)6-4-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyCYDRYPPBJIHSEF-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.81
Rot. Bonds4

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

1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117454527) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117454527
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCCc1c(OC)cc(Cl)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C15H19ClO3/c1-3-11-12(8-10(16)9-13(11)19-2)15(14(17)18)6-4-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyCYDRYPPBJIHSEF-UHFFFAOYSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
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-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117425425
1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117454406
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
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-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid (CID 117454527) is 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid is CCc1c(OC)cc(Cl)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is CYDRYPPBJIHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-3-11-12(8-10(16)9-13(11)19-2)15(14(17)18)6-4-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117454527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).