1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene

C21H17Br — CID 132851009

IUPAC1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
SMILESBrc1ccc(/C=C/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17Br/c22-20-14-11-17(12-15-20)13-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,21H/b16-13+
InChIKeyPOOKZMLDXHVVSK-DTQAZKPQSA-N
MW349.27 g/mol
LogP6.29
Rot. Bonds4

About 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene

1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene (PubChem CID 132851009) has the molecular formula C21H17Br and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
PubChem CID132851009
Molecular FormulaC21H17Br
Molecular Weight349.27 g/mol
Exact Mass348.05
IUPAC Name1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
SMILESBrc1ccc(/C=C/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17Br/c22-20-14-11-17(12-15-20)13-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,21H/b16-13+
InChIKeyPOOKZMLDXHVVSK-DTQAZKPQSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene
CID 86588944
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene
CID 125476010
(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
CID 24894592
4-bromo-N-[(E,2S)-4-phenylbut-3-en-2-yl]aniline
CID 150387945
1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
CID 174797210
4-(4-bromophenyl)-2-methyl-6-phenylhexa-2,5-dienoic acid
CID 67161057
(E,2R)-4-(4-bromophenyl)-1,1,1-trichlorobut-3-en-2-ol
CID 125476149
(E)-2-(4-bromoanilino)-4-phenylbut-3-enenitrile
CID 10990618

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene (CID 132851009) is 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene is Brc1ccc(/C=C/C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene?
The InChIKey is POOKZMLDXHVVSK-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H17Br/c22-20-14-11-17(12-15-20)13-16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,21H/b16-13+.
What are the key properties of 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene?
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene has a molecular weight of 349.27 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene is sourced from PubChem (CID 132851009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).