1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid

C14H17ClO3 — CID 117425446

IUPAC1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cc(Cl)c(C2(C(=O)O)CCCC2)c(C)c1O
InChIInChI=1S/C14H17ClO3/c1-8-7-10(15)11(9(2)12(8)16)14(13(17)18)5-3-4-6-14/h7,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyKVKMWKWNSLDIIJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.56
Rot. Bonds2

About 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid

1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117425446) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117425446
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cc(Cl)c(C2(C(=O)O)CCCC2)c(C)c1O
InChIInChI=1S/C14H17ClO3/c1-8-7-10(15)11(9(2)12(8)16)14(13(17)18)5-3-4-6-14/h7,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyKVKMWKWNSLDIIJ-UHFFFAOYSA-N
XLogP3.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117498418
1-(5-chloro-2,3-dihydroxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117429684
1-(3-chloro-2,6-difluoro-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117439165
1-(3,4-dihydroxy-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344786
1-(2-chloro-3,4-dihydroxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117394982
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497851
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
1-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid
CID 117454277
1-(3-chloro-4-hydroxy-2,5,6-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117114289
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481216

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid (CID 117425446) is 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid is Cc1cc(Cl)c(C2(C(=O)O)CCCC2)c(C)c1O.
What is the InChIKey of 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is KVKMWKWNSLDIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-8-7-10(15)11(9(2)12(8)16)14(13(17)18)5-3-4-6-14/h7,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid?
1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117425446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).