1-bromo-4-(3-phenylbut-1-enyl)benzene

C16H15Br — CID 162347455

IUPAC1-bromo-4-(3-phenylbut-1-enyl)benzene
SMILESCC(C=Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15Br/c1-13(15-5-3-2-4-6-15)7-8-14-9-11-16(17)12-10-14/h2-13H,1H3
InChIKeyDWFOCQBWAMQJTN-UHFFFAOYSA-N
MW287.20 g/mol
LogP5.27
Rot. Bonds3

About 1-bromo-4-(3-phenylbut-1-enyl)benzene

1-bromo-4-(3-phenylbut-1-enyl)benzene (PubChem CID 162347455) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-bromo-4-(3-phenylbut-1-enyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-phenylbut-1-enyl)benzene
PubChem CID162347455
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name1-bromo-4-(3-phenylbut-1-enyl)benzene
SMILESCC(C=Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15Br/c1-13(15-5-3-2-4-6-15)7-8-14-9-11-16(17)12-10-14/h2-13H,1H3
InChIKeyDWFOCQBWAMQJTN-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
CID 162348170
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene
CID 86588944
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
4-bromo-N-[(E,2S)-4-phenylbut-3-en-2-yl]aniline
CID 150387945
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
CID 139679614

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-phenylbut-1-enyl)benzene?
The IUPAC name of 1-bromo-4-(3-phenylbut-1-enyl)benzene (CID 162347455) is 1-bromo-4-(3-phenylbut-1-enyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-phenylbut-1-enyl)benzene?
The canonical SMILES for 1-bromo-4-(3-phenylbut-1-enyl)benzene is CC(C=Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-bromo-4-(3-phenylbut-1-enyl)benzene?
The InChIKey is DWFOCQBWAMQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c1-13(15-5-3-2-4-6-15)7-8-14-9-11-16(17)12-10-14/h2-13H,1H3.
What are the key properties of 1-bromo-4-(3-phenylbut-1-enyl)benzene?
1-bromo-4-(3-phenylbut-1-enyl)benzene has a molecular weight of 287.20 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-phenylbut-1-enyl)benzene is sourced from PubChem (CID 162347455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).