1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid

C15H19ClO3 — CID 68673792

IUPAC1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
SMILESCCC1(O)CCCCC1(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO3/c1-2-14(19)9-3-4-10-15(14,13(17)18)11-5-7-12(16)8-6-11/h5-8,19H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyAMBWERUXTWKLHQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid

1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 68673792) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID68673792
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
SMILESCCC1(O)CCCCC1(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO3/c1-2-14(19)9-3-4-10-15(14,13(17)18)11-5-7-12(16)8-6-11/h5-8,19H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyAMBWERUXTWKLHQ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 68674747
trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
CID 162909891
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
CID 139928433
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
(2R)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141351332
2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
CID 13083372
5-(4-chlorophenyl)-2-ethyl-3,4-dihydropyrrole-2-carboxylic acid
CID 67463348
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
N-[1-(4-chlorophenyl)cyclopropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111464638

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid (CID 68673792) is 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid is CCC1(O)CCCCC1(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is AMBWERUXTWKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-2-14(19)9-3-4-10-15(14,13(17)18)11-5-7-12(16)8-6-11/h5-8,19H,2-4,9-10H2,1H3,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 68673792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).