2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol

C11H12O2S — CID 117120063

IUPAC2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol
SMILESCC(C)(O)c1cc2c(O)cccc2s1
InChIInChI=1S/C11H12O2S/c1-11(2,13)10-6-7-8(12)4-3-5-9(7)14-10/h3-6,12-13H,1-2H3
InChIKeyQZHXBIOFUPXWPV-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.83
Rot. Bonds1

About 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol

2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol (PubChem CID 117120063) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol
PubChem CID117120063
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol
SMILESCC(C)(O)c1cc2c(O)cccc2s1
InChIInChI=1S/C11H12O2S/c1-11(2,13)10-6-7-8(12)4-3-5-9(7)14-10/h3-6,12-13H,1-2H3
InChIKeyQZHXBIOFUPXWPV-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol (CID 117120063) is 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol is CC(C)(O)c1cc2c(O)cccc2s1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol?
The InChIKey is QZHXBIOFUPXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-11(2,13)10-6-7-8(12)4-3-5-9(7)14-10/h3-6,12-13H,1-2H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol?
2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol has a molecular weight of 208.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol is sourced from PubChem (CID 117120063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).