(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone

C15H18BrClO — CID 107944523

IUPAC(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C15H18BrClO/c1-9-3-10(2)5-11(4-9)15(18)12-6-13(16)8-14(17)7-12/h6-11H,3-5H2,1-2H3
InChIKeyIKCIRGNFQAUMAA-UHFFFAOYSA-N
MW329.67 g/mol
LogP5.36
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone

(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone (PubChem CID 107944523) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone
PubChem CID107944523
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C15H18BrClO/c1-9-3-10(2)5-11(4-9)15(18)12-6-13(16)8-14(17)7-12/h6-11H,3-5H2,1-2H3
InChIKeyIKCIRGNFQAUMAA-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.67
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chlorobenzoyl chloride
CID 50998129
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
3-bromo-5-chlorobenzamide
CID 53417471
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone (CID 107944523) is (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone is CC1CC(C)CC(C(=O)c2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The InChIKey is IKCIRGNFQAUMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c1-9-3-10(2)5-11(4-9)15(18)12-6-13(16)8-14(17)7-12/h6-11H,3-5H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone?
(3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone has a molecular weight of 329.67 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3,5-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107944523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).