1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone

C18H24Cl2O — CID 107307912

IUPAC1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
SMILESCC(C)(C)C1CCC(C(=O)Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H24Cl2O/c1-18(2,3)14-9-7-12(8-10-14)16(21)11-13-5-4-6-15(19)17(13)20/h4-6,12,14H,7-11H2,1-3H3
InChIKeyKHICWCCKLKIUID-UHFFFAOYSA-N
MW327.30 g/mol
LogP5.96
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone

1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone (PubChem CID 107307912) has the molecular formula C18H24Cl2O and a molecular weight of 327.30 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
PubChem CID107307912
Molecular FormulaC18H24Cl2O
Molecular Weight327.30 g/mol
Exact Mass326.12
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
SMILESCC(C)(C)C1CCC(C(=O)Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H24Cl2O/c1-18(2,3)14-9-7-12(8-10-14)16(21)11-13-5-4-6-15(19)17(13)20/h4-6,12,14H,7-11H2,1-3H3
InChIKeyKHICWCCKLKIUID-UHFFFAOYSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.30
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-2,3-dichlorobenzene
CID 107309494
N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid
CID 22076151
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone (CID 107307912) is 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone is CC(C)(C)C1CCC(C(=O)Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone?
The InChIKey is KHICWCCKLKIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2O/c1-18(2,3)14-9-7-12(8-10-14)16(21)11-13-5-4-6-15(19)17(13)20/h4-6,12,14H,7-11H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone has a molecular weight of 327.30 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 107307912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).