(4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone

C8H6O6S — CID 178074586

IUPAC(4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(O)OS(=O)(=O)O1
InChIInChI=1S/C8H6O6S/c9-7(6-4-2-1-3-5-6)8(10)13-15(11,12)14-8/h1-5,10H
InChIKeyVIOHTPWUKWWAIS-UHFFFAOYSA-N
MW230.20 g/mol
LogP-0.19
Rot. Bonds2

About (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone

(4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone (PubChem CID 178074586) has the molecular formula C8H6O6S and a molecular weight of 230.20 g/mol. Its IUPAC name is (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone
PubChem CID178074586
Molecular FormulaC8H6O6S
Molecular Weight230.20 g/mol
Exact Mass229.99
IUPAC Name(4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(O)OS(=O)(=O)O1
InChIInChI=1S/C8H6O6S/c9-7(6-4-2-1-3-5-6)8(10)13-15(11,12)14-8/h1-5,10H
InChIKeyVIOHTPWUKWWAIS-UHFFFAOYSA-N
XLogP-0.19
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-diphenylethane-1,2-dione;iron
CID 70488368
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
CID 132510708
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
phenyl-[(1S,2R,4S,5R)-2,3,4,5-tetrabenzoyl-1,2,3,4,5,6-hexahydroxycyclohexyl]methanone
CID 22848822
methyl 2-benzoyloxirane-2-carboxylate
CID 14685242
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone?
The IUPAC name of (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone (CID 178074586) is (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone.
What is the SMILES notation for (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone?
The canonical SMILES for (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone is O=C(c1ccccc1)C1(O)OS(=O)(=O)O1.
What is the InChIKey of (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone?
The InChIKey is VIOHTPWUKWWAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O6S/c9-7(6-4-2-1-3-5-6)8(10)13-15(11,12)14-8/h1-5,10H.
What are the key properties of (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone?
(4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone has a molecular weight of 230.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,2-dioxo-1,3,2-dioxathietan-4-yl)-phenylmethanone is sourced from PubChem (CID 178074586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).