5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol

C16H16O4 — CID 44563762

IUPAC5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1OC
InChIInChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+
InChIKeyWHKSEHKYYXHCTA-ONEGZZNKSA-N
MW272.30 g/mol
LogP3.29
Rot. Bonds4

About 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol

5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 44563762) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID44563762
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol
SMILESCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1OC
InChIInChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+
InChIKeyWHKSEHKYYXHCTA-ONEGZZNKSA-N
XLogP3.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
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-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol (CID 44563762) is 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol is COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1OC.
What is the InChIKey of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is WHKSEHKYYXHCTA-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 272.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 44563762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).