1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene

C22H19Br — CID 3032769

IUPAC1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene
SMILESCCc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19Br/c1-2-17-13-15-19(16-14-17)21(18-9-5-3-6-10-18)22(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/b22-21+
InChIKeyOQCYTSHIQNPJIC-QURGRASLSA-N
MW363.30 g/mol
LogP6.56
Rot. Bonds4

About 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene

1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene (PubChem CID 3032769) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene
PubChem CID3032769
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene
SMILESCCc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19Br/c1-2-17-13-15-19(16-14-17)21(18-9-5-3-6-10-18)22(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/b22-21+
InChIKeyOQCYTSHIQNPJIC-QURGRASLSA-N
XLogP6.56
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 ≤ 56.56
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

1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
CID 6509575
4-[4-[(Z)-2-(4-ethylphenyl)-1-phenyl-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]-N,N-diphenylaniline
CID 134394669
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene;ethane
CID 144540083
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
ethylcyclodecapentaene
CID 90861705
4-[(Z)-2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101070753
ethane;ethylbenzene;methanol
CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
1-[deuterio(phenyl)methyl]-4-ethylbenzene
CID 173307863
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene?
The IUPAC name of 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene (CID 3032769) is 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene.
What is the SMILES notation for 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene?
The canonical SMILES for 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene is CCc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene?
The InChIKey is OQCYTSHIQNPJIC-QURGRASLSA-N. The full InChI is InChI=1S/C22H19Br/c1-2-17-13-15-19(16-14-17)21(18-9-5-3-6-10-18)22(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/b22-21+.
What are the key properties of 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene?
1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene has a molecular weight of 363.30 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene is sourced from PubChem (CID 3032769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).