4-ethenyl-1-benzothiophen-6-ol

C10H8OS — CID 174796342

IUPAC4-ethenyl-1-benzothiophen-6-ol
SMILESC=Cc1cc(O)cc2sccc12
InChIInChI=1S/C10H8OS/c1-2-7-5-8(11)6-10-9(7)3-4-12-10/h2-6,11H,1H2
InChIKeyKBGMYNAZORIUHI-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.25
Rot. Bonds1

About 4-ethenyl-1-benzothiophen-6-ol

4-ethenyl-1-benzothiophen-6-ol (PubChem CID 174796342) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-ethenyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name4-ethenyl-1-benzothiophen-6-ol
PubChem CID174796342
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name4-ethenyl-1-benzothiophen-6-ol
SMILESC=Cc1cc(O)cc2sccc12
InChIInChI=1S/C10H8OS/c1-2-7-5-8(11)6-10-9(7)3-4-12-10/h2-6,11H,1H2
InChIKeyKBGMYNAZORIUHI-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-benzothiophen-6-ol?
The IUPAC name of 4-ethenyl-1-benzothiophen-6-ol (CID 174796342) is 4-ethenyl-1-benzothiophen-6-ol.
What is the SMILES notation for 4-ethenyl-1-benzothiophen-6-ol?
The canonical SMILES for 4-ethenyl-1-benzothiophen-6-ol is C=Cc1cc(O)cc2sccc12.
What is the InChIKey of 4-ethenyl-1-benzothiophen-6-ol?
The InChIKey is KBGMYNAZORIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c1-2-7-5-8(11)6-10-9(7)3-4-12-10/h2-6,11H,1H2.
What are the key properties of 4-ethenyl-1-benzothiophen-6-ol?
4-ethenyl-1-benzothiophen-6-ol has a molecular weight of 176.24 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-benzothiophen-6-ol is sourced from PubChem (CID 174796342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).