[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol

C14H12O3S — CID 91174117

IUPAC[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol
SMILESO=S1c2ccc(CO)cc2-c2cc(CO)ccc21
InChIInChI=1S/C14H12O3S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)18(13)17/h1-6,15-16H,7-8H2
InChIKeyUDGHUAOQPNBILU-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.82
Rot. Bonds2

About [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol

[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol (PubChem CID 91174117) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol
PubChem CID91174117
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol
SMILESO=S1c2ccc(CO)cc2-c2cc(CO)ccc21
InChIInChI=1S/C14H12O3S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)18(13)17/h1-6,15-16H,7-8H2
InChIKeyUDGHUAOQPNBILU-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol 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 [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol?
The IUPAC name of [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol (CID 91174117) is [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol.
What is the SMILES notation for [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol?
The canonical SMILES for [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol is O=S1c2ccc(CO)cc2-c2cc(CO)ccc21.
What is the InChIKey of [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol?
The InChIKey is UDGHUAOQPNBILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)18(13)17/h1-6,15-16H,7-8H2.
What are the key properties of [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol?
[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol has a molecular weight of 260.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol is sourced from PubChem (CID 91174117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).