1-benzothiophen-2-ylmethanol

C9H8OS — CID 2776335

IUPAC1-benzothiophen-2-ylmethanol
SMILESOCc1cc2ccccc2s1
InChIInChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
InChIKeySUHKSQTXXZQEBH-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.39
Rot. Bonds1

About 1-benzothiophen-2-ylmethanol

1-benzothiophen-2-ylmethanol (PubChem CID 2776335) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-benzothiophen-2-ylmethanol.

Molecular Properties

Compound Name1-benzothiophen-2-ylmethanol
PubChem CID2776335
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name1-benzothiophen-2-ylmethanol
SMILESOCc1cc2ccccc2s1
InChIInChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
InChIKeySUHKSQTXXZQEBH-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylmethanol?
The IUPAC name of 1-benzothiophen-2-ylmethanol (CID 2776335) is 1-benzothiophen-2-ylmethanol.
What is the SMILES notation for 1-benzothiophen-2-ylmethanol?
The canonical SMILES for 1-benzothiophen-2-ylmethanol is OCc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylmethanol?
The InChIKey is SUHKSQTXXZQEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2.
What are the key properties of 1-benzothiophen-2-ylmethanol?
1-benzothiophen-2-ylmethanol has a molecular weight of 164.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylmethanol is sourced from PubChem (CID 2776335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).