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

C19H17FO4S — CID 44577449

IUPAC6-[(E)-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-MKMNVTDBSA-N
MW360.41 g/mol
LogP5.10
Rot. Bonds5

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

6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (PubChem CID 44577449) has the molecular formula C19H17FO4S and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
PubChem CID44577449
Molecular FormulaC19H17FO4S
Molecular Weight360.41 g/mol
Exact Mass360.08
IUPAC Name6-[(E)-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-MKMNVTDBSA-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'}

Analyze 6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]phenol
CID 25131509
5-{Hydroxy-[6-methoxy-2-(3,4,5-trimethoxy-phenyl)-benzo[b]thiophen-3-yl]-methyl}-2-methoxy-phenol
CID 10814652
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
CID 11186928
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
CID 25131184
6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-1-benzothiophen-4-ol
CID 25131861
4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
CID 25131859
5-{Hydroxy-[2-(3,4,5-trimethoxy-phenyl)-thiophen-3-yl]-methyl}-2-methoxy-phenol
CID 44314972
6-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzothiophen-4-ol
CID 44412095
5-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzothiophen-7-ol
CID 44412111
2-methyl-6-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzothiophen-4-ol
CID 44412187
2-methyl-6-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzothiophen-4-ol
CID 44412312
6-[(Z)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
CID 44577450

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The IUPAC name of 6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (CID 44577449) is 6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 6-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The canonical SMILES for 6-[(E)-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-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The InChIKey is JUIMHHKELVWZEV-MKMNVTDBSA-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-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
6-[(E)-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-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol is sourced from PubChem (CID 44577449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).