7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one

C26H16O6 — CID 23628950

IUPAC7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one
SMILESO=c1c2ccc3c(c2oc2cc(O)cc(O)c12)OC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C26H16O6/c27-17-13-19(28)22-21(14-17)30-24-18(23(22)29)11-12-20-25(24)32-26(31-20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,27-28H
InChIKeyNWGXSMVVLGPHFC-UHFFFAOYSA-N
MW424.41 g/mol
LogP5.03
Rot. Bonds2

About 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one

7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one (PubChem CID 23628950) has the molecular formula C26H16O6 and a molecular weight of 424.41 g/mol. Its IUPAC name is 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one.

Molecular Properties

Compound Name7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one
PubChem CID23628950
Molecular FormulaC26H16O6
Molecular Weight424.41 g/mol
Exact Mass424.09
IUPAC Name7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one
SMILESO=c1c2ccc3c(c2oc2cc(O)cc(O)c12)OC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C26H16O6/c27-17-13-19(28)22-21(14-17)30-24-18(23(22)29)11-12-20-25(24)32-26(31-20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,27-28H
InChIKeyNWGXSMVVLGPHFC-UHFFFAOYSA-N
XLogP5.03
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 125350333
1,3-dihydroxyxanthen-9-one
CID 5488193
8-hydroxy-2-(4-hydroxyphenyl)-12,12-diphenyl-3,11,13-trioxatricyclo[5.3.3.04,9]trideca-1,4(9),5,7-tetraen-10-one
CID 141176168
7-hydroxy-2,2-diphenyl-8-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
CID 165142374
1,3,8-trihydroxy-5-sulfanylxanthen-9-one
CID 141458514
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one
CID 11087672
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
anisole;3,5,7-trihydroxy-2-methylchromen-4-one
CID 162742274
5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 6477679
(2S,3R)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-10-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
CID 162915863
3-[2-(1,3-dihydroxy-5-methoxy-9-oxoxanthen-2-yl)ethenyl]-8,10-dihydroxy-5-methoxy-3-methyl-2H-[1,4]dioxino[2,3-c]xanthen-7-one
CID 162945577

Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one?
The IUPAC name of 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one (CID 23628950) is 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one.
What is the SMILES notation for 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one?
The canonical SMILES for 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one is O=c1c2ccc3c(c2oc2cc(O)cc(O)c12)OC(c1ccccc1)(c1ccccc1)O3.
What is the InChIKey of 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one?
The InChIKey is NWGXSMVVLGPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O6/c27-17-13-19(28)22-21(14-17)30-24-18(23(22)29)11-12-20-25(24)32-26(31-20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,27-28H.
What are the key properties of 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one?
7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one has a molecular weight of 424.41 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one is sourced from PubChem (CID 23628950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).