1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid

C15H19ClO2 — CID 117420844

IUPAC1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1C
InChIInChI=1S/C15H19ClO2/c1-10-8-12(16)9-13(11(10)2)15(14(17)18)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyGMVUBHFSMRVOCV-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.24
Rot. Bonds2

About 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid

1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117420844) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117420844
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1C
InChIInChI=1S/C15H19ClO2/c1-10-8-12(16)9-13(11(10)2)15(14(17)18)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyGMVUBHFSMRVOCV-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256
1-(5-chloro-2-fluoro-3-methylphenyl)cyclobutane-1-carboxylic acid
CID 84801765
1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117454406
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid (CID 117420844) is 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid is Cc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1C.
What is the InChIKey of 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is GMVUBHFSMRVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-10-8-12(16)9-13(11(10)2)15(14(17)18)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid?
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 266.77 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117420844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).