2-bromo-1-(4-cyclohexylphenyl)ethanone

C14H17BrO — CID 2756899

IUPAC2-bromo-1-(4-cyclohexylphenyl)ethanone
SMILESO=C(CBr)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H17BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyJMCBGXFQNHCVBY-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-1-(4-cyclohexylphenyl)ethanone

2-bromo-1-(4-cyclohexylphenyl)ethanone (PubChem CID 2756899) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-bromo-1-(4-cyclohexylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-cyclohexylphenyl)ethanone
PubChem CID2756899
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2-bromo-1-(4-cyclohexylphenyl)ethanone
SMILESO=C(CBr)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H17BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyJMCBGXFQNHCVBY-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-(4-cyclohexylphenyl)ethanone 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-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
2-bromo-1-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 141124897
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
2-bromo-1-[4-(4-ethylcyclohexyl)phenyl]ethanone
CID 102133235
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
[4-(2-bromoacetyl)phenyl] 4-cyclopropylbenzoate
CID 87652015
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
4-(4-cyclohexylphenyl)-4-oxobutanal
CID 175457718
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 3753475
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-cyclohexylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-cyclohexylphenyl)ethanone (CID 2756899) is 2-bromo-1-(4-cyclohexylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-cyclohexylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-cyclohexylphenyl)ethanone is O=C(CBr)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-bromo-1-(4-cyclohexylphenyl)ethanone?
The InChIKey is JMCBGXFQNHCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 2-bromo-1-(4-cyclohexylphenyl)ethanone?
2-bromo-1-(4-cyclohexylphenyl)ethanone has a molecular weight of 281.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-cyclohexylphenyl)ethanone is sourced from PubChem (CID 2756899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).