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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Related Compounds

1-methyldibenzothiophene
CID 23839
2,3,4-trimethyldibenzothiophene
CID 15818020
2-methyldibenzothiophene-1,4-diamine
CID 68825684
4-bromo-1-methyldibenzothiophene
CID 123624432
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
2,6-di(dibenzothiophen-4-yl)-4-methylphenol
CID 67087347
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
2,16-dimethyl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126491864
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
2-[6-(dicyanomethylidene)naphtho[3,2-b][1]benzothiol-11-ylidene]propanedinitrile
CID 10498724
5-bromo-6-phenylnaphtho[2,1-b][1]benzothiole
CID 11165166
1-methyl-[1]benzothiolo[2,3-c]pyran-3-one
CID 14176043

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).