1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid

C15H19ClO3 — CID 117454406

IUPAC1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1O
InChIInChI=1S/C15H19ClO3/c1-2-10-8-11(16)9-12(13(10)17)15(14(18)19)6-4-3-5-7-15/h8-9,17H,2-7H2,1H3,(H,18,19)
InChIKeyWNZQBBQJUGFOSY-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.89
Rot. Bonds3

About 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid

1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117454406) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID117454406
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1O
InChIInChI=1S/C15H19ClO3/c1-2-10-8-11(16)9-12(13(10)17)15(14(18)19)6-4-3-5-7-15/h8-9,17H,2-7H2,1H3,(H,18,19)
InChIKeyWNZQBBQJUGFOSY-UHFFFAOYSA-N
XLogP3.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(5-bromo-3-ethyl-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117458815
1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117454527
1-(3-chloro-5-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117420839
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117489786
1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117434426
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068
1-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]cyclopentane-1-carboxylic acid
CID 117444470
1-(5-chloro-2-fluoro-3-methylphenyl)cyclobutane-1-carboxylic acid
CID 84801765
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117469168

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid (CID 117454406) is 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid is CCc1cc(Cl)cc(C2(C(=O)O)CCCCC2)c1O.
What is the InChIKey of 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is WNZQBBQJUGFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-2-10-8-11(16)9-12(13(10)17)15(14(18)19)6-4-3-5-7-15/h8-9,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid?
1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117454406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).