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

C19H17FO4S — CID 44577450

IUPAC6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C(F)=C/c2cc(O)c3ccsc3c2)cc(OC)c1OC
InChIInChI=1S/C19H17FO4S/c1-22-16-9-12(10-17(23-2)19(16)24-3)14(20)6-11-7-15(21)13-4-5-25-18(13)8-11/h4-10,21H,1-3H3/b14-6-
InChIKeyJUIMHHKELVWZEV-NSIKDUERSA-N
MW360.41 g/mol
LogP5.10
Rot. Bonds5

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

6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (PubChem CID 44577450) has the molecular formula C19H17FO4S and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
PubChem CID44577450
Molecular FormulaC19H17FO4S
Molecular Weight360.41 g/mol
Exact Mass360.08
IUPAC Name6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C(F)=C/c2cc(O)c3ccsc3c2)cc(OC)c1OC
InChIInChI=1S/C19H17FO4S/c1-22-16-9-12(10-17(23-2)19(16)24-3)14(20)6-11-7-15(21)13-4-5-25-18(13)8-11/h4-10,21H,1-3H3/b14-6-
InChIKeyJUIMHHKELVWZEV-NSIKDUERSA-N
XLogP5.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The IUPAC name of 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (CID 44577450) is 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The canonical SMILES for 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol is COc1cc(/C(F)=C/c2cc(O)c3ccsc3c2)cc(OC)c1OC.
What is the InChIKey of 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The InChIKey is JUIMHHKELVWZEV-NSIKDUERSA-N. The full InChI is InChI=1S/C19H17FO4S/c1-22-16-9-12(10-17(23-2)19(16)24-3)14(20)6-11-7-15(21)13-4-5-25-18(13)8-11/h4-10,21H,1-3H3/b14-6-.
What are the key properties of 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol has a molecular weight of 360.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol is sourced from PubChem (CID 44577450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).