4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene

C18H16O2S — CID 25131859

IUPAC4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
SMILESCOc1ccc(/C=C\c2cc(OC)c3ccsc3c2)cc1
InChIInChI=1S/C18H16O2S/c1-19-15-7-5-13(6-8-15)3-4-14-11-17(20-2)16-9-10-21-18(16)12-14/h3-12H,1-2H3/b4-3-
InChIKeyVRYYBTXEELSSGB-ARJAWSKDSA-N
MW296.39 g/mol
LogP5.09
Rot. Bonds4

About 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene

4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene (PubChem CID 25131859) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
PubChem CID25131859
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
SMILESCOc1ccc(/C=C\c2cc(OC)c3ccsc3c2)cc1
InChIInChI=1S/C18H16O2S/c1-19-15-7-5-13(6-8-15)3-4-14-11-17(20-2)16-9-10-21-18(16)12-14/h3-12H,1-2H3/b4-3-
InChIKeyVRYYBTXEELSSGB-ARJAWSKDSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
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 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene?
The IUPAC name of 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene (CID 25131859) is 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene.
What is the SMILES notation for 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene?
The canonical SMILES for 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene is COc1ccc(/C=C\c2cc(OC)c3ccsc3c2)cc1.
What is the InChIKey of 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene?
The InChIKey is VRYYBTXEELSSGB-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H16O2S/c1-19-15-7-5-13(6-8-15)3-4-14-11-17(20-2)16-9-10-21-18(16)12-14/h3-12H,1-2H3/b4-3-.
What are the key properties of 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene?
4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene has a molecular weight of 296.39 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene is sourced from PubChem (CID 25131859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).