5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol

C16H14Br2O3 — CID 57393224

IUPAC5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C\c2cc(Br)c(OC)c(Br)c2)cc1O
InChIInChI=1S/C16H14Br2O3/c1-20-15-6-5-10(9-14(15)19)3-4-11-7-12(17)16(21-2)13(18)8-11/h3-9,19H,1-2H3/b4-3-
InChIKeyZXPZRBWFXRAJAQ-ARJAWSKDSA-N
MW414.09 g/mol
LogP5.10
Rot. Bonds4

About 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol

5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol (PubChem CID 57393224) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol
PubChem CID57393224
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C\c2cc(Br)c(OC)c(Br)c2)cc1O
InChIInChI=1S/C16H14Br2O3/c1-20-15-6-5-10(9-14(15)19)3-4-11-7-12(17)16(21-2)13(18)8-11/h3-9,19H,1-2H3/b4-3-
InChIKeyZXPZRBWFXRAJAQ-ARJAWSKDSA-N
XLogP5.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.09
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol (CID 57393224) is 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol is COc1ccc(/C=C\c2cc(Br)c(OC)c(Br)c2)cc1O.
What is the InChIKey of 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
The InChIKey is ZXPZRBWFXRAJAQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-20-15-6-5-10(9-14(15)19)3-4-11-7-12(17)16(21-2)13(18)8-11/h3-9,19H,1-2H3/b4-3-.
What are the key properties of 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol has a molecular weight of 414.09 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 57393224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).