4-methyldibenzothiophene-1,3-diol

C13H10O2S — CID 170237244

IUPAC4-methyldibenzothiophene-1,3-diol
SMILESCc1c(O)cc(O)c2c1sc1ccccc12
InChIInChI=1S/C13H10O2S/c1-7-9(14)6-10(15)12-8-4-2-3-5-11(8)16-13(7)12/h2-6,14-15H,1H3
InChIKeyFMHVBTGOOVILSX-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds

About 4-methyldibenzothiophene-1,3-diol

4-methyldibenzothiophene-1,3-diol (PubChem CID 170237244) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-methyldibenzothiophene-1,3-diol.

Molecular Properties

Compound Name4-methyldibenzothiophene-1,3-diol
PubChem CID170237244
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name4-methyldibenzothiophene-1,3-diol
SMILESCc1c(O)cc(O)c2c1sc1ccccc12
InChIInChI=1S/C13H10O2S/c1-7-9(14)6-10(15)12-8-4-2-3-5-11(8)16-13(7)12/h2-6,14-15H,1H3
InChIKeyFMHVBTGOOVILSX-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyldibenzothiophene-1,3-diol?
The IUPAC name of 4-methyldibenzothiophene-1,3-diol (CID 170237244) is 4-methyldibenzothiophene-1,3-diol.
What is the SMILES notation for 4-methyldibenzothiophene-1,3-diol?
The canonical SMILES for 4-methyldibenzothiophene-1,3-diol is Cc1c(O)cc(O)c2c1sc1ccccc12.
What is the InChIKey of 4-methyldibenzothiophene-1,3-diol?
The InChIKey is FMHVBTGOOVILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c1-7-9(14)6-10(15)12-8-4-2-3-5-11(8)16-13(7)12/h2-6,14-15H,1H3.
What are the key properties of 4-methyldibenzothiophene-1,3-diol?
4-methyldibenzothiophene-1,3-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-1,3-diol is sourced from PubChem (CID 170237244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).