2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone

C16H20Cl2O — CID 64773768

IUPAC2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2O/c1-2-11-3-6-13(7-4-11)16(19)10-12-5-8-14(17)15(18)9-12/h5,8-9,11,13H,2-4,6-7,10H2,1H3
InChIKeyFGGBVMBVDFHZCF-UHFFFAOYSA-N
MW299.24 g/mol
LogP5.32
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone

2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone (PubChem CID 64773768) has the molecular formula C16H20Cl2O and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
PubChem CID64773768
Molecular FormulaC16H20Cl2O
Molecular Weight299.24 g/mol
Exact Mass298.09
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2O/c1-2-11-3-6-13(7-4-11)16(19)10-12-5-8-14(17)15(18)9-12/h5,8-9,11,13H,2-4,6-7,10H2,1H3
InChIKeyFGGBVMBVDFHZCF-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.24
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-(4-chloro-3-fluorophenyl)-1-(4-propylcyclohexyl)ethanone
CID 107883999
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658392
1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone
CID 118270884
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone (CID 64773768) is 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone is CCC1CCC(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
The InChIKey is FGGBVMBVDFHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O/c1-2-11-3-6-13(7-4-11)16(19)10-12-5-8-14(17)15(18)9-12/h5,8-9,11,13H,2-4,6-7,10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone has a molecular weight of 299.24 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone is sourced from PubChem (CID 64773768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).