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

C17H17BrO3 — CID 59502056

IUPAC1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(/C=C/c2cccc(OC)c2Br)c(OC)c1
InChIInChI=1S/C17H17BrO3/c1-19-14-10-9-12(16(11-14)21-3)7-8-13-5-4-6-15(20-2)17(13)18/h4-11H,1-3H3/b8-7+
InChIKeyLIXXNPNEJWMKAI-BQYQJAHWSA-N
MW349.22 g/mol
LogP4.65
Rot. Bonds5

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

1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene (PubChem CID 59502056) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
PubChem CID59502056
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(/C=C/c2cccc(OC)c2Br)c(OC)c1
InChIInChI=1S/C17H17BrO3/c1-19-14-10-9-12(16(11-14)21-3)7-8-13-5-4-6-15(20-2)17(13)18/h4-11H,1-3H3/b8-7+
InChIKeyLIXXNPNEJWMKAI-BQYQJAHWSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene (CID 59502056) is 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene is COc1ccc(/C=C/c2cccc(OC)c2Br)c(OC)c1.
What is the InChIKey of 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
The InChIKey is LIXXNPNEJWMKAI-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-19-14-10-9-12(16(11-14)21-3)7-8-13-5-4-6-15(20-2)17(13)18/h4-11H,1-3H3/b8-7+.
What are the key properties of 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene has a molecular weight of 349.22 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 59502056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).