(5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone

C15H18BrClO — CID 114975403

IUPAC(5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2cc(Br)ccc2Cl)CC1C
InChIInChI=1S/C15H18BrClO/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(16)5-6-14(13)17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyOMCFQJFRYOEKOF-UHFFFAOYSA-N
MW329.67 g/mol
LogP5.36
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone

(5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone (PubChem CID 114975403) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
PubChem CID114975403
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name(5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2cc(Br)ccc2Cl)CC1C
InChIInChI=1S/C15H18BrClO/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(16)5-6-14(13)17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyOMCFQJFRYOEKOF-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

Analyze (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026831
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429
(3-chloro-4-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 105105379
(2-bromo-5-iodophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026832
(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975482
(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 107538024
5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
CID 64744650
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
(2-tert-butylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975502
(5-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787252
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone (CID 114975403) is (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone is CC1CCC(C(=O)c2cc(Br)ccc2Cl)CC1C.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is OMCFQJFRYOEKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(16)5-6-14(13)17/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone?
(5-bromo-2-chlorophenyl)-(3,4-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 (5-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 114975403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).