(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone

C15H19BrO — CID 114329532

IUPAC(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
SMILESCc1cc(C(=O)C2CCCCC2)cc(C)c1Br
InChIInChI=1S/C15H19BrO/c1-10-8-13(9-11(2)14(10)16)15(17)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyRHODEQOQVZBOGK-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.83
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone

(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone (PubChem CID 114329532) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
PubChem CID114329532
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
SMILESCc1cc(C(=O)C2CCCCC2)cc(C)c1Br
InChIInChI=1S/C15H19BrO/c1-10-8-13(9-11(2)14(10)16)15(17)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyRHODEQOQVZBOGK-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
CID 114329540
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809
(3-amino-5-methylphenyl)-cyclopentylmethanone
CID 130689709
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone (CID 114329532) is (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone is Cc1cc(C(=O)C2CCCCC2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone?
The InChIKey is RHODEQOQVZBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-10-8-13(9-11(2)14(10)16)15(17)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone?
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone has a molecular weight of 295.22 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone is sourced from PubChem (CID 114329532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).