2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one

C28H18O6 — CID 125350333

IUPAC2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
SMILESO=c1cc(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(O)cc(O)c12
InChIInChI=1S/C28H18O6/c29-20-14-21(30)27-22(31)16-24(32-26(27)15-20)17-11-12-23-25(13-17)34-28(33-23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29-30H
InChIKeyLXZNQTVZNYMKOZ-UHFFFAOYSA-N
MW450.45 g/mol
LogP5.54
Rot. Bonds3

About 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one

2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one (PubChem CID 125350333) has the molecular formula C28H18O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
PubChem CID125350333
Molecular FormulaC28H18O6
Molecular Weight450.45 g/mol
Exact Mass450.11
IUPAC Name2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
SMILESO=c1cc(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(O)cc(O)c12
InChIInChI=1S/C28H18O6/c29-20-14-21(30)27-22(31)16-24(32-26(27)15-20)17-11-12-23-25(13-17)34-28(33-23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29-30H
InChIKeyLXZNQTVZNYMKOZ-UHFFFAOYSA-N
XLogP5.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 169245769
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5-hydroxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
CID 162397105
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxychromen-4-one
CID 169245770
7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one
CID 23628950
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one (CID 125350333) is 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one is O=c1cc(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
The InChIKey is LXZNQTVZNYMKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O6/c29-20-14-21(30)27-22(31)16-24(32-26(27)15-20)17-11-12-23-25(13-17)34-28(33-23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29-30H.
What are the key properties of 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one?
2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one has a molecular weight of 450.45 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 125350333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).