5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol

C17H17BrO4 — CID 11516117

IUPAC5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C\c2cc(Br)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H17BrO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h4-10,19H,1-3H3/b5-4-
InChIKeyLDMARZLQOPWXCV-PLNGDYQASA-N
MW365.22 g/mol
LogP4.35
Rot. Bonds5

About 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol

5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol (PubChem CID 11516117) has the molecular formula C17H17BrO4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
PubChem CID11516117
Molecular FormulaC17H17BrO4
Molecular Weight365.22 g/mol
Exact Mass364.03
IUPAC Name5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C\c2cc(Br)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H17BrO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h4-10,19H,1-3H3/b5-4-
InChIKeyLDMARZLQOPWXCV-PLNGDYQASA-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 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol (CID 11516117) is 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol is COc1ccc(/C=C\c2cc(Br)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol?
The InChIKey is LDMARZLQOPWXCV-PLNGDYQASA-N. The full InChI is InChI=1S/C17H17BrO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h4-10,19H,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol?
5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-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 5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 11516117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).