2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol

C11H14O2S — CID 117198983

IUPAC2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol
SMILESCC(O)CC1Cc2c(O)cccc2S1
InChIInChI=1S/C11H14O2S/c1-7(12)5-8-6-9-10(13)3-2-4-11(9)14-8/h2-4,7-8,12-13H,5-6H2,1H3
InChIKeyHRPGDLBGTUGICH-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.18
Rot. Bonds2

About 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol

2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol (PubChem CID 117198983) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol
PubChem CID117198983
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol
SMILESCC(O)CC1Cc2c(O)cccc2S1
InChIInChI=1S/C11H14O2S/c1-7(12)5-8-6-9-10(13)3-2-4-11(9)14-8/h2-4,7-8,12-13H,5-6H2,1H3
InChIKeyHRPGDLBGTUGICH-UHFFFAOYSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol?
The IUPAC name of 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol (CID 117198983) is 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol?
The canonical SMILES for 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol is CC(O)CC1Cc2c(O)cccc2S1.
What is the InChIKey of 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol?
The InChIKey is HRPGDLBGTUGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-7(12)5-8-6-9-10(13)3-2-4-11(9)14-8/h2-4,7-8,12-13H,5-6H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol?
2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol has a molecular weight of 210.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol is sourced from PubChem (CID 117198983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).