1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene

C21H16BrCl — CID 46185842

IUPAC1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene
SMILESClc1ccccc1C(/C=C(/Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16BrCl/c22-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)18-13-7-8-14-21(18)23/h1-15,19H/b20-15+
InChIKeyGFRXQHAMIYINJB-HMMYKYKNSA-N
MW383.72 g/mol
LogP6.91
Rot. Bonds4

About 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene

1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene (PubChem CID 46185842) has the molecular formula C21H16BrCl and a molecular weight of 383.72 g/mol. Its IUPAC name is 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene
PubChem CID46185842
Molecular FormulaC21H16BrCl
Molecular Weight383.72 g/mol
Exact Mass382.01
IUPAC Name1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene
SMILESClc1ccccc1C(/C=C(/Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16BrCl/c22-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)18-13-7-8-14-21(18)23/h1-15,19H/b20-15+
InChIKeyGFRXQHAMIYINJB-HMMYKYKNSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.72
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
CID 174797210
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
CID 134482693
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
CID 150814441
2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine
CID 173102523
1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene
CID 135043487
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
1-chloro-2-[6-(2-chlorophenyl)-1,6-diphenylhexa-2,4-diynyl]benzene
CID 57111117
2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
CID 22119015

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene?
The IUPAC name of 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene (CID 46185842) is 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene.
What is the SMILES notation for 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene?
The canonical SMILES for 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene is Clc1ccccc1C(/C=C(/Br)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene?
The InChIKey is GFRXQHAMIYINJB-HMMYKYKNSA-N. The full InChI is InChI=1S/C21H16BrCl/c22-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)18-13-7-8-14-21(18)23/h1-15,19H/b20-15+.
What are the key properties of 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene?
1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene has a molecular weight of 383.72 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene is sourced from PubChem (CID 46185842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).