1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone

C14H17ClO2 — CID 91060117

IUPAC1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(Cl)cc2)CC1O
InChIInChI=1S/C14H17ClO2/c1-9(16)13-7-4-11(8-14(13)17)10-2-5-12(15)6-3-10/h2-3,5-6,11,13-14,17H,4,7-8H2,1H3
InChIKeyQUTWJLORGQSPER-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.17
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone

1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone (PubChem CID 91060117) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
PubChem CID91060117
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(Cl)cc2)CC1O
InChIInChI=1S/C14H17ClO2/c1-9(16)13-7-4-11(8-14(13)17)10-2-5-12(15)6-3-10/h2-3,5-6,11,13-14,17H,4,7-8H2,1H3
InChIKeyQUTWJLORGQSPER-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
CID 142165955
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
CID 13397264
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
CID 23373017
4-(4-chlorophenyl)cyclohexane-1-carbonyl chloride;toluene
CID 174817473
2-(4-chlorophenyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384197
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
1-[(1R,2S,4R)-2-hydroxy-4-methylcyclohexyl]ethanone
CID 59752307
N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
CID 83007014
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone (CID 91060117) is 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone is CC(=O)C1CCC(c2ccc(Cl)cc2)CC1O.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone?
The InChIKey is QUTWJLORGQSPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9(16)13-7-4-11(8-14(13)17)10-2-5-12(15)6-3-10/h2-3,5-6,11,13-14,17H,4,7-8H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone?
1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone has a molecular weight of 252.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 91060117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).