1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid

C14H17ClO4 — CID 117458267

IUPAC1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(Cl)c(C2(C(=O)O)CCCC2)c(OC)c1
InChIInChI=1S/C14H17ClO4/c1-18-9-7-10(15)12(11(8-9)19-2)14(13(16)17)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyBLHMDGMGXHQNMI-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid

1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117458267) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117458267
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(Cl)c(C2(C(=O)O)CCCC2)c(OC)c1
InChIInChI=1S/C14H17ClO4/c1-18-9-7-10(15)12(11(8-9)19-2)14(13(16)17)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyBLHMDGMGXHQNMI-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-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481216
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
1-(6-chloro-2-fluoro-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117462402
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497851
1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117424298
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363591

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid (CID 117458267) is 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid is COc1cc(Cl)c(C2(C(=O)O)CCCC2)c(OC)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is BLHMDGMGXHQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-18-9-7-10(15)12(11(8-9)19-2)14(13(16)17)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid?
1-(2-chloro-4,6-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-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117458267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).