6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol

C19H14O2S2 — CID 25131862

IUPAC6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccsc3c2)cc2sccc12
InChIInChI=1S/C19H14O2S2/c1-21-17-9-13(11-19-15(17)5-7-23-19)3-2-12-8-16(20)14-4-6-22-18(14)10-12/h2-11,20H,1H3/b3-2-
InChIKeyUEIXPKTWNPOXRT-IHWYPQMZSA-N
MW338.45 g/mol
LogP6.00
Rot. Bonds3

About 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol

6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol (PubChem CID 25131862) has the molecular formula C19H14O2S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol
PubChem CID25131862
Molecular FormulaC19H14O2S2
Molecular Weight338.45 g/mol
Exact Mass338.04
IUPAC Name6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccsc3c2)cc2sccc12
InChIInChI=1S/C19H14O2S2/c1-21-17-9-13(11-19-15(17)5-7-23-19)3-2-12-8-16(20)14-4-6-22-18(14)10-12/h2-11,20H,1H3/b3-2-
InChIKeyUEIXPKTWNPOXRT-IHWYPQMZSA-N
XLogP6.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.00
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-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol?
The IUPAC name of 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol (CID 25131862) is 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol?
The canonical SMILES for 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol is COc1cc(/C=C\c2cc(O)c3ccsc3c2)cc2sccc12.
What is the InChIKey of 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol?
The InChIKey is UEIXPKTWNPOXRT-IHWYPQMZSA-N. The full InChI is InChI=1S/C19H14O2S2/c1-21-17-9-13(11-19-15(17)5-7-23-19)3-2-12-8-16(20)14-4-6-22-18(14)10-12/h2-11,20H,1H3/b3-2-.
What are the key properties of 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol?
6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol has a molecular weight of 338.45 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol is sourced from PubChem (CID 25131862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).