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

C19H18O4S — CID 162653812

IUPAC2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol
SMILESCOc1cc(/C=C\c2cc3cc(O)ccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H18O4S/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/h4-11,20H,1-3H3/b6-4-
InChIKeyNQCQGSWMGDZYGE-XQRVVYSFSA-N
MW342.42 g/mol
LogP4.80
Rot. Bonds5

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

2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol (PubChem CID 162653812) has the molecular formula C19H18O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol
PubChem CID162653812
Molecular FormulaC19H18O4S
Molecular Weight342.42 g/mol
Exact Mass342.09
IUPAC Name2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol
SMILESCOc1cc(/C=C\c2cc3cc(O)ccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H18O4S/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/h4-11,20H,1-3H3/b6-4-
InChIKeyNQCQGSWMGDZYGE-XQRVVYSFSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol?
The IUPAC name of 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol (CID 162653812) is 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol.
What is the SMILES notation for 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol?
The canonical SMILES for 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol is COc1cc(/C=C\c2cc3cc(O)ccc3s2)cc(OC)c1OC.
What is the InChIKey of 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol?
The InChIKey is NQCQGSWMGDZYGE-XQRVVYSFSA-N. The full InChI is InChI=1S/C19H18O4S/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/h4-11,20H,1-3H3/b6-4-.
What are the key properties of 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol?
2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-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 2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-5-ol is sourced from PubChem (CID 162653812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).