4-methyldibenzothiophene-3,7-diol

C13H10O2S — CID 170104064

IUPAC4-methyldibenzothiophene-3,7-diol
SMILESCc1c(O)ccc2c1sc1cc(O)ccc12
InChIInChI=1S/C13H10O2S/c1-7-11(15)5-4-10-9-3-2-8(14)6-12(9)16-13(7)10/h2-6,14-15H,1H3
InChIKeyODGKMNAIACIOGN-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds

About 4-methyldibenzothiophene-3,7-diol

4-methyldibenzothiophene-3,7-diol (PubChem CID 170104064) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-methyldibenzothiophene-3,7-diol.

Molecular Properties

Compound Name4-methyldibenzothiophene-3,7-diol
PubChem CID170104064
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name4-methyldibenzothiophene-3,7-diol
SMILESCc1c(O)ccc2c1sc1cc(O)ccc12
InChIInChI=1S/C13H10O2S/c1-7-11(15)5-4-10-9-3-2-8(14)6-12(9)16-13(7)10/h2-6,14-15H,1H3
InChIKeyODGKMNAIACIOGN-UHFFFAOYSA-N
XLogP3.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyldibenzothiophene-3,7-diol 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 4-methyldibenzothiophene-3,7-diol?
The IUPAC name of 4-methyldibenzothiophene-3,7-diol (CID 170104064) is 4-methyldibenzothiophene-3,7-diol.
What is the SMILES notation for 4-methyldibenzothiophene-3,7-diol?
The canonical SMILES for 4-methyldibenzothiophene-3,7-diol is Cc1c(O)ccc2c1sc1cc(O)ccc12.
What is the InChIKey of 4-methyldibenzothiophene-3,7-diol?
The InChIKey is ODGKMNAIACIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c1-7-11(15)5-4-10-9-3-2-8(14)6-12(9)16-13(7)10/h2-6,14-15H,1H3.
What are the key properties of 4-methyldibenzothiophene-3,7-diol?
4-methyldibenzothiophene-3,7-diol has a molecular weight of 230.29 g/mol, XLogP of 3.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldibenzothiophene-3,7-diol is sourced from PubChem (CID 170104064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).