4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol

C17H17BrO4 — CID 101497093

IUPAC4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol
SMILESCOc1ccc(/C=C/c2cc(Br)cc(OC)c2O)cc1OC
InChIInChI=1S/C17H17BrO4/c1-20-14-7-5-11(8-15(14)21-2)4-6-12-9-13(18)10-16(22-3)17(12)19/h4-10,19H,1-3H3/b6-4+
InChIKeyXHEVUHPZASBBGB-GQCTYLIASA-N
MW365.22 g/mol
LogP4.35
Rot. Bonds5

About 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol

4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol (PubChem CID 101497093) has the molecular formula C17H17BrO4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol
PubChem CID101497093
Molecular FormulaC17H17BrO4
Molecular Weight365.22 g/mol
Exact Mass364.03
IUPAC Name4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol
SMILESCOc1ccc(/C=C/c2cc(Br)cc(OC)c2O)cc1OC
InChIInChI=1S/C17H17BrO4/c1-20-14-7-5-11(8-15(14)21-2)4-6-12-9-13(18)10-16(22-3)17(12)19/h4-10,19H,1-3H3/b6-4+
InChIKeyXHEVUHPZASBBGB-GQCTYLIASA-N
XLogP4.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
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 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol (CID 101497093) is 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol is COc1ccc(/C=C/c2cc(Br)cc(OC)c2O)cc1OC.
What is the InChIKey of 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol?
The InChIKey is XHEVUHPZASBBGB-GQCTYLIASA-N. The full InChI is InChI=1S/C17H17BrO4/c1-20-14-7-5-11(8-15(14)21-2)4-6-12-9-13(18)10-16(22-3)17(12)19/h4-10,19H,1-3H3/b6-4+.
What are the key properties of 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol?
4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol has a molecular weight of 365.22 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenol is sourced from PubChem (CID 101497093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).