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

C18H19BrO4 — CID 10915865

IUPAC5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1Br
InChIInChI=1S/C18H19BrO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,1-4H3/b6-5+
InChIKeyLYJZDOJMUYAZNO-AATRIKPKSA-N
MW379.25 g/mol
LogP4.65
Rot. Bonds6

About 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 10915865) has the molecular formula C18H19BrO4 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID10915865
Molecular FormulaC18H19BrO4
Molecular Weight379.25 g/mol
Exact Mass378.05
IUPAC Name5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1Br
InChIInChI=1S/C18H19BrO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,1-4H3/b6-5+
InChIKeyLYJZDOJMUYAZNO-AATRIKPKSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 10915865) is 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1Br.
What is the InChIKey of 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is LYJZDOJMUYAZNO-AATRIKPKSA-N. The full InChI is InChI=1S/C18H19BrO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,1-4H3/b6-5+.
What are the key properties of 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 379.25 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 10915865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).