3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one

C15H17BrO — CID 4000745

IUPAC3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H17BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2
InChIKeyAXTWBKHTGVGGMB-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.61
Rot. Bonds3

About 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one

3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one (PubChem CID 4000745) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
PubChem CID4000745
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H17BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2
InChIKeyAXTWBKHTGVGGMB-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-cyclohexyl-3-oxoprop-1-enyl]benzoic acid
CID 9028454
1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54338045
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
(E)-3-[4-(cyclohexylmethoxy)phenyl]-1-cyclopropylprop-2-en-1-one
CID 19885168
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600
1-cyclopropyl-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 162468006
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
CID 23455779
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
1-(azepan-4-yl)-3-phenylprop-2-en-1-one
CID 4736933
1-bromo-4-(2-cyclohexylethenyl)benzene
CID 170694986
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
(E)-3-(4-bromophenyl)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]prop-2-en-1-one
CID 27511781

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one (CID 4000745) is 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one is O=C(C=Cc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one?
The InChIKey is AXTWBKHTGVGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2.
What are the key properties of 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one?
3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one has a molecular weight of 293.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one is sourced from PubChem (CID 4000745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).