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

C18H16O3S — CID 25131184

IUPAC6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccsc3c2)cc(OC)c1
InChIInChI=1S/C18H16O3S/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-
InChIKeyKAXDUHWEDZVLIH-ARJAWSKDSA-N
MW312.39 g/mol
LogP4.79
Rot. Bonds4

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

6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (PubChem CID 25131184) has the molecular formula C18H16O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
PubChem CID25131184
Molecular FormulaC18H16O3S
Molecular Weight312.39 g/mol
Exact Mass312.08
IUPAC Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccsc3c2)cc(OC)c1
InChIInChI=1S/C18H16O3S/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-
InChIKeyKAXDUHWEDZVLIH-ARJAWSKDSA-N
XLogP4.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.79
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-benzothiophen-4-ol?
The IUPAC name of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (CID 25131184) is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The canonical SMILES for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol is COc1cc(/C=C\c2cc(O)c3ccsc3c2)cc(OC)c1.
What is the InChIKey of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The InChIKey is KAXDUHWEDZVLIH-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H16O3S/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-benzothiophen-4-ol?
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol has a molecular weight of 312.39 g/mol, XLogP of 4.79, 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-benzothiophen-4-ol is sourced from PubChem (CID 25131184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).