[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene

C22H19Br — CID 177475796

IUPAC[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene
SMILESCC(/C(=C(\Br)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19Br/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)22(23)20-15-9-4-10-16-20/h2-17H,1H3/b22-21+
InChIKeyMKGMQZBOOSXPAM-QURGRASLSA-N
MW363.30 g/mol
LogP6.75
Rot. Bonds4

About [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene

[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene (PubChem CID 177475796) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene
PubChem CID177475796
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene
SMILESCC(/C(=C(\Br)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19Br/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)22(23)20-15-9-4-10-16-20/h2-17H,1H3/b22-21+
InChIKeyMKGMQZBOOSXPAM-QURGRASLSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2-methylidene-1,3-diphenylbutan-1-one
CID 10014345
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
(E)-3-methoxycarbonyl-4,5-diphenylhex-3-enoic acid
CID 15283170
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
cumene;hydrogen peroxide
CID 21225480
3-fluorobut-3-en-2-ylbenzene
CID 54351405
CID 160506105
CID 160506105

Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene?
The IUPAC name of [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene (CID 177475796) is [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene.
What is the SMILES notation for [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene?
The canonical SMILES for [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene is CC(/C(=C(\Br)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene?
The InChIKey is MKGMQZBOOSXPAM-QURGRASLSA-N. The full InChI is InChI=1S/C22H19Br/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)22(23)20-15-9-4-10-16-20/h2-17H,1H3/b22-21+.
What are the key properties of [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene?
[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene has a molecular weight of 363.30 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene is sourced from PubChem (CID 177475796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).