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

C25H25BrO5 — CID 46933586

IUPAC1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene
SMILESCOc1ccc(/C=C(/c2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2Br)cc1
InChIInChI=1S/C25H25BrO5/c1-27-18-10-6-16(7-11-18)14-20(17-8-12-19(28-2)13-9-17)21-15-22(29-3)24(30-4)25(31-5)23(21)26/h6-15H,1-5H3/b20-14-
InChIKeyTUZYUSXOJMYFDC-ZHZULCJRSA-N
MW485.37 g/mol
LogP6.08
Rot. Bonds8

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

1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene (PubChem CID 46933586) has the molecular formula C25H25BrO5 and a molecular weight of 485.37 g/mol. Its IUPAC name is 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene
PubChem CID46933586
Molecular FormulaC25H25BrO5
Molecular Weight485.37 g/mol
Exact Mass484.09
IUPAC Name1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene
SMILESCOc1ccc(/C=C(/c2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2Br)cc1
InChIInChI=1S/C25H25BrO5/c1-27-18-10-6-16(7-11-18)14-20(17-8-12-19(28-2)13-9-17)21-15-22(29-3)24(30-4)25(31-5)23(21)26/h6-15H,1-5H3/b20-14-
InChIKeyTUZYUSXOJMYFDC-ZHZULCJRSA-N
XLogP6.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene?
The IUPAC name of 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene (CID 46933586) is 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene.
What is the SMILES notation for 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene?
The canonical SMILES for 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene is COc1ccc(/C=C(/c2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2Br)cc1.
What is the InChIKey of 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene?
The InChIKey is TUZYUSXOJMYFDC-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H25BrO5/c1-27-18-10-6-16(7-11-18)14-20(17-8-12-19(28-2)13-9-17)21-15-22(29-3)24(30-4)25(31-5)23(21)26/h6-15H,1-5H3/b20-14-.
What are the key properties of 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene?
1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene has a molecular weight of 485.37 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-2-bromo-3,4,5-trimethoxybenzene is sourced from PubChem (CID 46933586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).