5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol

C13H12O2S — CID 86200896

IUPAC5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol
SMILESCc1c2c(c3ccccc3c1O)OCCS2
InChIInChI=1S/C13H12O2S/c1-8-11(14)9-4-2-3-5-10(9)12-13(8)16-7-6-15-12/h2-5,14H,6-7H2,1H3
InChIKeyOQIJUAPUGRZIPX-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.34
Rot. Bonds

About 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol

5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol (PubChem CID 86200896) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol.

Molecular Properties

Compound Name5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol
PubChem CID86200896
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol
SMILESCc1c2c(c3ccccc3c1O)OCCS2
InChIInChI=1S/C13H12O2S/c1-8-11(14)9-4-2-3-5-10(9)12-13(8)16-7-6-15-12/h2-5,14H,6-7H2,1H3
InChIKeyOQIJUAPUGRZIPX-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-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 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol?
The IUPAC name of 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol (CID 86200896) is 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol.
What is the SMILES notation for 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol?
The canonical SMILES for 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol is Cc1c2c(c3ccccc3c1O)OCCS2.
What is the InChIKey of 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol?
The InChIKey is OQIJUAPUGRZIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-8-11(14)9-4-2-3-5-10(9)12-13(8)16-7-6-15-12/h2-5,14H,6-7H2,1H3.
What are the key properties of 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol?
5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol has a molecular weight of 232.30 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-6-ol is sourced from PubChem (CID 86200896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).