1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid

C14H17ClO4 — CID 117458268

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCCC2)c(Cl)c1OC
InChIInChI=1S/C14H17ClO4/c1-18-10-6-5-9(11(15)12(10)19-2)14(13(16)17)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCDGYCHOIDRQNEK-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid

1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117458268) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117458268
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCCC2)c(Cl)c1OC
InChIInChI=1S/C14H17ClO4/c1-18-10-6-5-9(11(15)12(10)19-2)14(13(16)17)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCDGYCHOIDRQNEK-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117434480
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid (CID 117458268) is 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CCCC2)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is CDGYCHOIDRQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-18-10-6-5-9(11(15)12(10)19-2)14(13(16)17)7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117458268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).