1-benzothiophen-4-ol

C8H6OS — CID 19217

IUPAC1-benzothiophen-4-ol
SMILESOc1cccc2sccc12
InChIInChI=1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H
InChIKeyBMRZGYNNZTVECK-UHFFFAOYSA-N
MW150.20 g/mol
LogP2.61
Rot. Bonds

About 1-benzothiophen-4-ol

1-benzothiophen-4-ol (PubChem CID 19217) has the molecular formula C8H6OS and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-benzothiophen-4-ol.

Molecular Properties

Compound Name1-benzothiophen-4-ol
PubChem CID19217
Molecular FormulaC8H6OS
Molecular Weight150.20 g/mol
Exact Mass150.01
IUPAC Name1-benzothiophen-4-ol
SMILESOc1cccc2sccc12
InChIInChI=1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H
InChIKeyBMRZGYNNZTVECK-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-4-ol?
The IUPAC name of 1-benzothiophen-4-ol (CID 19217) is 1-benzothiophen-4-ol.
What is the SMILES notation for 1-benzothiophen-4-ol?
The canonical SMILES for 1-benzothiophen-4-ol is Oc1cccc2sccc12.
What is the InChIKey of 1-benzothiophen-4-ol?
The InChIKey is BMRZGYNNZTVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H.
What are the key properties of 1-benzothiophen-4-ol?
1-benzothiophen-4-ol has a molecular weight of 150.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-4-ol is sourced from PubChem (CID 19217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).