4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol

C19H14O3S — CID 167107193

IUPAC4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol
SMILESCc1cc(O)cc2c1S(=O)(=O)c1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C19H14O3S/c1-12-10-14(20)11-17-16-9-5-8-15(13-6-3-2-4-7-13)19(16)23(21,22)18(12)17/h2-11,20H,1H3
InChIKeyCYENNPAHYOSRKJ-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.18
Rot. Bonds1

About 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol

4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol (PubChem CID 167107193) has the molecular formula C19H14O3S and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol.

Molecular Properties

Compound Name4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol
PubChem CID167107193
Molecular FormulaC19H14O3S
Molecular Weight322.38 g/mol
Exact Mass322.07
IUPAC Name4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol
SMILESCc1cc(O)cc2c1S(=O)(=O)c1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C19H14O3S/c1-12-10-14(20)11-17-16-9-5-8-15(13-6-3-2-4-7-13)19(16)23(21,22)18(12)17/h2-11,20H,1H3
InChIKeyCYENNPAHYOSRKJ-UHFFFAOYSA-N
XLogP4.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-nitro-5-phenylphenol
CID 45098061
2-methyl-6-phenylphenol
CID 12592481
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
(4-hydroxy-2-methyl-5-phenylphenyl) acetate
CID 10728858
4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol
CID 176656433
3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
benzene-1,3-diol;formaldehyde;2-phenylphenol
CID 174593053
4,6-dibromodibenzothiophene 5,5-dioxide
CID 162349580
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
3,4-diphenylphenol;sulfane
CID 172728711
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol?
The IUPAC name of 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol (CID 167107193) is 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol.
What is the SMILES notation for 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol?
The canonical SMILES for 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol is Cc1cc(O)cc2c1S(=O)(=O)c1c(-c3ccccc3)cccc1-2.
What is the InChIKey of 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol?
The InChIKey is CYENNPAHYOSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3S/c1-12-10-14(20)11-17-16-9-5-8-15(13-6-3-2-4-7-13)19(16)23(21,22)18(12)17/h2-11,20H,1H3.
What are the key properties of 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol?
4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol has a molecular weight of 322.38 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol is sourced from PubChem (CID 167107193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).