1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene

C26H25BrO4 — CID 24782385

IUPAC1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H25BrO4/c1-28-23-11-9-18(16-25(23)30-3)5-7-20-13-21(15-22(27)14-20)8-6-19-10-12-24(29-2)26(17-19)31-4/h5-17H,1-4H3/b7-5+,8-6+
InChIKeyVLYXEADJQADYCF-KQQUZDAGSA-N
MW481.39 g/mol
LogP6.82
Rot. Bonds8

About 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene

1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene (PubChem CID 24782385) has the molecular formula C26H25BrO4 and a molecular weight of 481.39 g/mol. Its IUPAC name is 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene
PubChem CID24782385
Molecular FormulaC26H25BrO4
Molecular Weight481.39 g/mol
Exact Mass480.09
IUPAC Name1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H25BrO4/c1-28-23-11-9-18(16-25(23)30-3)5-7-20-13-21(15-22(27)14-20)8-6-19-10-12-24(29-2)26(17-19)31-4/h5-17H,1-4H3/b7-5+,8-6+
InChIKeyVLYXEADJQADYCF-KQQUZDAGSA-N
XLogP6.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 16090832
(Z) 4-Bromo-3',5'-trimethoxystilbene
CID 5388768
4-[(E)-2-[3-bromo-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 24752854
1,1'-Biphenyl, 2,2'-dibromo-4,4',5,5'-tetramethoxy-
CID 5063692
2-Bromo-1-[3-(2-ethoxyphenoxy)propoxy]-4-methylbenzene
CID 2283350
1-Bromo-2-{2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy}-4,5-dimethylbenzene
CID 2284072
1-Bromo-2-{2-[2-(2-methoxyphenoxy)ethoxy]ethoxy}-3,5-dimethylbenzene
CID 2284131
1-Bromo-2-[3-(2-methoxyphenoxy)propoxy]-3,5-dimethylbenzene
CID 2284470
5-[1-(3-Bromo-4-methoxyphenyl)ethenyl]-1,2-dimethoxy-3-methylselanylbenzene
CID 137633408
3,4,5-Trimethoxyl-4'-bromo-trans-stilbene
CID 5388062
5-[(Z)-2-(3-Bromo-4-methoxy-phenyl)-vinyl]-1,2,3-trimethoxy-benzene
CID 10915864
5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
CID 11516117

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene (CID 24782385) is 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC.
What is the InChIKey of 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene?
The InChIKey is VLYXEADJQADYCF-KQQUZDAGSA-N. The full InChI is InChI=1S/C26H25BrO4/c1-28-23-11-9-18(16-25(23)30-3)5-7-20-13-21(15-22(27)14-20)8-6-19-10-12-24(29-2)26(17-19)31-4/h5-17H,1-4H3/b7-5+,8-6+.
What are the key properties of 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene?
1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene has a molecular weight of 481.39 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 24782385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).