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

C19H18O4S — CID 11186928

IUPAC6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccsc3c2)cc(OC)c1OC
InChIInChI=1S/C19H18O4S/c1-21-16-9-13(10-17(22-2)19(16)23-3)5-4-12-8-15(20)14-6-7-24-18(14)11-12/h4-11,20H,1-3H3/b5-4-
InChIKeyPEXHXKNLHNMUNN-PLNGDYQASA-N
MW342.42 g/mol
LogP4.80
Rot. Bonds5

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

6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (PubChem CID 11186928) has the molecular formula C19H18O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
PubChem CID11186928
Molecular FormulaC19H18O4S
Molecular Weight342.42 g/mol
Exact Mass342.09
IUPAC Name6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol
SMILESCOc1cc(/C=C\c2cc(O)c3ccsc3c2)cc(OC)c1OC
InChIInChI=1S/C19H18O4S/c1-21-16-9-13(10-17(22-2)19(16)23-3)5-4-12-8-15(20)14-6-7-24-18(14)11-12/h4-11,20H,1-3H3/b5-4-
InChIKeyPEXHXKNLHNMUNN-PLNGDYQASA-N
XLogP4.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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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-(3,5-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
(Z)-3-(1-benzothiophen-3-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 118731501
4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
CID 25131859
6-[(Z)-2-(4-methoxy-1-benzothiophen-6-yl)ethenyl]-1-benzothiophen-4-ol
CID 25131862
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

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The IUPAC name of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol (CID 11186928) is 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The canonical SMILES for 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol is COc1cc(/C=C\c2cc(O)c3ccsc3c2)cc(OC)c1OC.
What is the InChIKey of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
The InChIKey is PEXHXKNLHNMUNN-PLNGDYQASA-N. The full InChI is InChI=1S/C19H18O4S/c1-21-16-9-13(10-17(22-2)19(16)23-3)5-4-12-8-15(20)14-6-7-24-18(14)11-12/h4-11,20H,1-3H3/b5-4-.
What are the key properties of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol?
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol has a molecular weight of 342.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-ol is sourced from PubChem (CID 11186928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).