2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene

C18H19BrO4 — CID 155556808

IUPAC2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene
SMILESCOc1cc(/C=C/c2cc(OC)c(Br)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H19BrO4/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11H,1-4H3/b6-5+
InChIKeyIIOPANNJPQDPCO-AATRIKPKSA-N
MW379.25 g/mol
LogP4.65
Rot. Bonds6

About 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene

2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene (PubChem CID 155556808) has the molecular formula C18H19BrO4 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene
PubChem CID155556808
Molecular FormulaC18H19BrO4
Molecular Weight379.25 g/mol
Exact Mass378.05
IUPAC Name2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene
SMILESCOc1cc(/C=C/c2cc(OC)c(Br)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H19BrO4/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11H,1-4H3/b6-5+
InChIKeyIIOPANNJPQDPCO-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 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene?
The IUPAC name of 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene (CID 155556808) is 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene?
The canonical SMILES for 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene is COc1cc(/C=C/c2cc(OC)c(Br)c(OC)c2)cc(OC)c1.
What is the InChIKey of 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene?
The InChIKey is IIOPANNJPQDPCO-AATRIKPKSA-N. The full InChI is InChI=1S/C18H19BrO4/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11H,1-4H3/b6-5+.
What are the key properties of 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene?
2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene 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 2-bromo-5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethoxybenzene is sourced from PubChem (CID 155556808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).