6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol

C18H16O4 — CID 25131503

IUPAC6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccoc3c2)cc(OC)c1
InChIInChI=1S/C18H16O4/c1-20-14-7-12(8-15(11-14)21-2)3-4-13-9-17(19)16-5-6-22-18(16)10-13/h3-11,19H,1-2H3/b4-3-
InChIKeyCIAUAUMFFDERFG-ARJAWSKDSA-N
MW296.32 g/mol
LogP4.33
Rot. Bonds4

About 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol

6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol (PubChem CID 25131503) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol.

Molecular Properties

Compound Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol
PubChem CID25131503
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccoc3c2)cc(OC)c1
InChIInChI=1S/C18H16O4/c1-20-14-7-12(8-15(11-14)21-2)3-4-13-9-17(19)16-5-6-22-18(16)10-13/h3-11,19H,1-2H3/b4-3-
InChIKeyCIAUAUMFFDERFG-ARJAWSKDSA-N
XLogP4.33
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.33
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 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol?
The IUPAC name of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol (CID 25131503) is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol.
What is the SMILES notation for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol?
The canonical SMILES for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol is COc1cc(/C=C\c2cc(O)c3ccoc3c2)cc(OC)c1.
What is the InChIKey of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol?
The InChIKey is CIAUAUMFFDERFG-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-14-7-12(8-15(11-14)21-2)3-4-13-9-17(19)16-5-6-22-18(16)10-13/h3-11,19H,1-2H3/b4-3-.
What are the key properties of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol?
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol has a molecular weight of 296.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzofuran-4-ol is sourced from PubChem (CID 25131503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).