2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone

C18H18Cl2O — CID 116543159

IUPAC2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1cccc(C(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2O/c1-12(2)9-13-5-3-6-14(10-13)18(21)11-15-16(19)7-4-8-17(15)20/h3-8,10,12H,9,11H2,1-2H3
InChIKeyXFDFIQUZAGHINY-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.62
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone

2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone (PubChem CID 116543159) has the molecular formula C18H18Cl2O and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
PubChem CID116543159
Molecular FormulaC18H18Cl2O
Molecular Weight321.25 g/mol
Exact Mass320.07
IUPAC Name2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1cccc(C(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2O/c1-12(2)9-13-5-3-6-14(10-13)18(21)11-15-16(19)7-4-8-17(15)20/h3-8,10,12H,9,11H2,1-2H3
InChIKeyXFDFIQUZAGHINY-UHFFFAOYSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
3-(2-methylpropyl)benzamide
CID 23130390
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone (CID 116543159) is 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone is CC(C)Cc1cccc(C(=O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The InChIKey is XFDFIQUZAGHINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O/c1-12(2)9-13-5-3-6-14(10-13)18(21)11-15-16(19)7-4-8-17(15)20/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone has a molecular weight of 321.25 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 116543159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).