2,3-dihydro-1-benzothiophen-3-ylmethanol

C9H10OS — CID 79212252

IUPAC2,3-dihydro-1-benzothiophen-3-ylmethanol
SMILESOCC1CSc2ccccc21
InChIInChI=1S/C9H10OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2
InChIKeyNFQJRLBCTTZPGY-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.87
Rot. Bonds1

About 2,3-dihydro-1-benzothiophen-3-ylmethanol

2,3-dihydro-1-benzothiophen-3-ylmethanol (PubChem CID 79212252) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-ylmethanol
PubChem CID79212252
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name2,3-dihydro-1-benzothiophen-3-ylmethanol
SMILESOCC1CSc2ccccc21
InChIInChI=1S/C9H10OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2
InChIKeyNFQJRLBCTTZPGY-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-ylmethanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-ylmethanol (CID 79212252) is 2,3-dihydro-1-benzothiophen-3-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-ylmethanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-ylmethanol is OCC1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-ylmethanol?
The InChIKey is NFQJRLBCTTZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-ylmethanol?
2,3-dihydro-1-benzothiophen-3-ylmethanol has a molecular weight of 166.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-ylmethanol is sourced from PubChem (CID 79212252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).