1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene

C15H12Br2 — CID 101391865

IUPAC1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Br)=C(\Br)c2ccccc2)cc1
InChIInChI=1S/C15H12Br2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3/b15-14+
InChIKeyWUJWRFGDQGDJMZ-CCEZHUSRSA-N
MW352.07 g/mol
LogP5.61
Rot. Bonds2

About 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene

1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene (PubChem CID 101391865) has the molecular formula C15H12Br2 and a molecular weight of 352.07 g/mol. Its IUPAC name is 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
PubChem CID101391865
Molecular FormulaC15H12Br2
Molecular Weight352.07 g/mol
Exact Mass349.93
IUPAC Name1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Br)=C(\Br)c2ccccc2)cc1
InChIInChI=1S/C15H12Br2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3/b15-14+
InChIKeyWUJWRFGDQGDJMZ-CCEZHUSRSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.07
LogP ≤ 55.61
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

methyl (E)-3-bromo-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 10735231
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
CID 15417413
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
benzene;bis(1,4-xylene)
CID 159472747
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
1-[diazo(phenyl)methyl]-4-methylbenzene
CID 12641746
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene (CID 101391865) is 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene is Cc1ccc(/C(Br)=C(\Br)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene?
The InChIKey is WUJWRFGDQGDJMZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H12Br2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3/b15-14+.
What are the key properties of 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene?
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene has a molecular weight of 352.07 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene is sourced from PubChem (CID 101391865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).