(4-bromo-1-phenylbut-1-enyl)benzene

C16H15Br — CID 10401774

IUPAC(4-bromo-1-phenylbut-1-enyl)benzene
SMILESBrCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15Br/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-12H,7,13H2
InChIKeyGWCPTZNOWFHMER-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.90
Rot. Bonds4

About (4-bromo-1-phenylbut-1-enyl)benzene

(4-bromo-1-phenylbut-1-enyl)benzene (PubChem CID 10401774) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is (4-bromo-1-phenylbut-1-enyl)benzene.

Molecular Properties

Compound Name(4-bromo-1-phenylbut-1-enyl)benzene
PubChem CID10401774
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name(4-bromo-1-phenylbut-1-enyl)benzene
SMILESBrCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15Br/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-12H,7,13H2
InChIKeyGWCPTZNOWFHMER-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
CID 19703232
[(E)-6-bromohex-3-en-1-yn-3-yl]benzene
CID 139252123
1-phenylhepta-1,6-dienylbenzene
CID 11021254
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine
CID 3026468
4-(1-phenylpent-1-enyl)phenol
CID 57219514
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
(Z)-3-(4-bromophenyl)-3-phenylprop-2-en-1-ol
CID 22270289
N-(3,3-diphenylprop-2-enyl)hydroxylamine
CID 10775571
bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
CID 13328743
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-phenylbut-1-enyl)benzene?
The IUPAC name of (4-bromo-1-phenylbut-1-enyl)benzene (CID 10401774) is (4-bromo-1-phenylbut-1-enyl)benzene.
What is the SMILES notation for (4-bromo-1-phenylbut-1-enyl)benzene?
The canonical SMILES for (4-bromo-1-phenylbut-1-enyl)benzene is BrCCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-bromo-1-phenylbut-1-enyl)benzene?
The InChIKey is GWCPTZNOWFHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-12H,7,13H2.
What are the key properties of (4-bromo-1-phenylbut-1-enyl)benzene?
(4-bromo-1-phenylbut-1-enyl)benzene has a molecular weight of 287.20 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-phenylbut-1-enyl)benzene is sourced from PubChem (CID 10401774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).