5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene

C20H20O4S — CID 162646183

IUPAC5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
SMILESCOc1ccc2sc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2c1
InChIInChI=1S/C20H20O4S/c1-21-15-6-8-19-14(11-15)12-16(25-19)7-5-13-9-17(22-2)20(24-4)18(10-13)23-3/h5-12H,1-4H3/b7-5-
InChIKeyDVUWHOPXWGEPJL-ALCCZGGFSA-N
MW356.44 g/mol
LogP5.11
Rot. Bonds6

About 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene

5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene (PubChem CID 162646183) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
PubChem CID162646183
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Name5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
SMILESCOc1ccc2sc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2c1
InChIInChI=1S/C20H20O4S/c1-21-15-6-8-19-14(11-15)12-16(25-19)7-5-13-9-17(22-2)20(24-4)18(10-13)23-3/h5-12H,1-4H3/b7-5-
InChIKeyDVUWHOPXWGEPJL-ALCCZGGFSA-N
XLogP5.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
The IUPAC name of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene (CID 162646183) is 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene.
What is the SMILES notation for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
The canonical SMILES for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene is COc1ccc2sc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2c1.
What is the InChIKey of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
The InChIKey is DVUWHOPXWGEPJL-ALCCZGGFSA-N. The full InChI is InChI=1S/C20H20O4S/c1-21-15-6-8-19-14(11-15)12-16(25-19)7-5-13-9-17(22-2)20(24-4)18(10-13)23-3/h5-12H,1-4H3/b7-5-.
What are the key properties of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene has a molecular weight of 356.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene is sourced from PubChem (CID 162646183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).