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

C27H29BrO7 — CID 46933585

IUPAC5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C(=C\c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C27H29BrO7/c1-29-18-8-9-19(21(28)15-18)20(17-13-24(32-4)27(35-7)25(14-17)33-5)10-16-11-22(30-2)26(34-6)23(12-16)31-3/h8-15H,1-7H3/b20-10-
InChIKeyWWLFYZOIOVTYJW-JMIUGGIZSA-N
MW545.43 g/mol
LogP6.10
Rot. Bonds10

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

5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 46933585) has the molecular formula C27H29BrO7 and a molecular weight of 545.43 g/mol. Its IUPAC name is 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID46933585
Molecular FormulaC27H29BrO7
Molecular Weight545.43 g/mol
Exact Mass544.11
IUPAC Name5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C(=C\c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C27H29BrO7/c1-29-18-8-9-19(21(28)15-18)20(17-13-24(32-4)27(35-7)25(14-17)33-5)10-16-11-22(30-2)26(34-6)23(12-16)31-3/h8-15H,1-7H3/b20-10-
InChIKeyWWLFYZOIOVTYJW-JMIUGGIZSA-N
XLogP6.10
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 46933585) is 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(/C(=C\c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)c(Br)c1.
What is the InChIKey of 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is WWLFYZOIOVTYJW-JMIUGGIZSA-N. The full InChI is InChI=1S/C27H29BrO7/c1-29-18-8-9-19(21(28)15-18)20(17-13-24(32-4)27(35-7)25(14-17)33-5)10-16-11-22(30-2)26(34-6)23(12-16)31-3/h8-15H,1-7H3/b20-10-.
What are the key properties of 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 545.43 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-(2-bromo-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 46933585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).