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

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Related Compounds

7-tert-butyl-3,4-dimethyldibenzothiophene
CID 167531835
16-hydroxy-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6-carbaldehyde
CID 130242570
4-methyldibenzothiophene-1,3-diol
CID 170237244
2,3-diethyl-1-benzothiophen-6-ol
CID 131191073
3-amino-2-ethyl-1-benzothiophen-6-ol
CID 131055002
6-hydroxy-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131196551
3-amino-7-methyl-1-benzothiophen-6-ol
CID 131096676
3-amino-2-sulfanyl-1-benzothiophen-6-ol
CID 131076485
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
2-hydroxy-2-(6-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 115073051
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744
1-(6-hydroxy-2-methyl-1-benzothiophen-3-yl)-2-methylbut-2-en-1-one
CID 123375026

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).