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

C19H17FO3S — CID 162662607

IUPAC5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
SMILESCOc1cc(/C=C\c2cc3cc(F)ccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17FO3S/c1-21-16-8-12(9-17(22-2)19(16)23-3)4-6-15-11-13-10-14(20)5-7-18(13)24-15/h4-11H,1-3H3/b6-4-
InChIKeyJFQFQAFZDJJPBB-XQRVVYSFSA-N
MW344.41 g/mol
LogP5.24
Rot. Bonds5

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

5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene (PubChem CID 162662607) has the molecular formula C19H17FO3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
PubChem CID162662607
Molecular FormulaC19H17FO3S
Molecular Weight344.41 g/mol
Exact Mass344.09
IUPAC Name5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
SMILESCOc1cc(/C=C\c2cc3cc(F)ccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17FO3S/c1-21-16-8-12(9-17(22-2)19(16)23-3)4-6-15-11-13-10-14(20)5-7-18(13)24-15/h4-11H,1-3H3/b6-4-
InChIKeyJFQFQAFZDJJPBB-XQRVVYSFSA-N
XLogP5.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
The IUPAC name of 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene (CID 162662607) is 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene.
What is the SMILES notation for 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
The canonical SMILES for 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene is COc1cc(/C=C\c2cc3cc(F)ccc3s2)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
The InChIKey is JFQFQAFZDJJPBB-XQRVVYSFSA-N. The full InChI is InChI=1S/C19H17FO3S/c1-21-16-8-12(9-17(22-2)19(16)23-3)4-6-15-11-13-10-14(20)5-7-18(13)24-15/h4-11H,1-3H3/b6-4-.
What are the key properties of 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene?
5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene has a molecular weight of 344.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene is sourced from PubChem (CID 162662607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).