1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene

C15H11Br3O — CID 15366242

IUPAC1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene
SMILESCOc1cccc(/C(Br)=C(\Br)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H11Br3O/c1-19-13-4-2-3-11(9-13)15(18)14(17)10-5-7-12(16)8-6-10/h2-9H,1H3/b15-14+
InChIKeyOVHWWRCAGMHVRG-CCEZHUSRSA-N
MW446.96 g/mol
LogP6.07
Rot. Bonds3

About 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene

1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene (PubChem CID 15366242) has the molecular formula C15H11Br3O and a molecular weight of 446.96 g/mol. Its IUPAC name is 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene
PubChem CID15366242
Molecular FormulaC15H11Br3O
Molecular Weight446.96 g/mol
Exact Mass443.84
IUPAC Name1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene
SMILESCOc1cccc(/C(Br)=C(\Br)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H11Br3O/c1-19-13-4-2-3-11(9-13)15(18)14(17)10-5-7-12(16)8-6-10/h2-9H,1H3/b15-14+
InChIKeyOVHWWRCAGMHVRG-CCEZHUSRSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
2,3-dibromo-1-(3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 173032917
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene (CID 15366242) is 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene is COc1cccc(/C(Br)=C(\Br)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene?
The InChIKey is OVHWWRCAGMHVRG-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H11Br3O/c1-19-13-4-2-3-11(9-13)15(18)14(17)10-5-7-12(16)8-6-10/h2-9H,1H3/b15-14+.
What are the key properties of 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene?
1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene has a molecular weight of 446.96 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 15366242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).