6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol

C9H12O2S — CID 10559396

IUPAC6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol
SMILESOCC1CCc2ccsc2C1O
InChIInChI=1S/C9H12O2S/c10-5-7-2-1-6-3-4-12-9(6)8(7)11/h3-4,7-8,10-11H,1-2,5H2
InChIKeyUZCFMFNQRWRZKG-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.34
Rot. Bonds1

About 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol

6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol (PubChem CID 10559396) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol
PubChem CID10559396
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol
SMILESOCC1CCc2ccsc2C1O
InChIInChI=1S/C9H12O2S/c10-5-7-2-1-6-3-4-12-9(6)8(7)11/h3-4,7-8,10-11H,1-2,5H2
InChIKeyUZCFMFNQRWRZKG-UHFFFAOYSA-N
XLogP1.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol?
The IUPAC name of 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol (CID 10559396) is 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol.
What is the SMILES notation for 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol?
The canonical SMILES for 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol is OCC1CCc2ccsc2C1O.
What is the InChIKey of 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol?
The InChIKey is UZCFMFNQRWRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c10-5-7-2-1-6-3-4-12-9(6)8(7)11/h3-4,7-8,10-11H,1-2,5H2.
What are the key properties of 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol?
6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol has a molecular weight of 184.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-7-ol is sourced from PubChem (CID 10559396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).