5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

C32H22O9 — CID 163046966

IUPAC5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1
InChIInChI=1S/C32H22O9/c1-16-11-21(34)29-22(35)13-24(40-26(29)12-16)18-5-9-20(10-6-18)39-32-28(38-2)15-27-30(31(32)37)23(36)14-25(41-27)17-3-7-19(33)8-4-17/h3-15,33-34,37H,1-2H3
InChIKeyXFGGMMCYYNWAQQ-UHFFFAOYSA-N
MW550.52 g/mol
LogP6.46
Rot. Bonds5

About 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one (PubChem CID 163046966) has the molecular formula C32H22O9 and a molecular weight of 550.52 g/mol. Its IUPAC name is 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
PubChem CID163046966
Molecular FormulaC32H22O9
Molecular Weight550.52 g/mol
Exact Mass550.13
IUPAC Name5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1
InChIInChI=1S/C32H22O9/c1-16-11-21(34)29-22(35)13-24(40-26(29)12-16)18-5-9-20(10-6-18)39-32-28(38-2)15-27-30(31(32)37)23(36)14-25(41-27)17-3-7-19(33)8-4-17/h3-15,33-34,37H,1-2H3
InChIKeyXFGGMMCYYNWAQQ-UHFFFAOYSA-N
XLogP6.46
TPSA139.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.52
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
CID 54731641
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
CID 130383696
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one;5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)chromen-4-one;5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;methane
CID 162082533
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one (CID 163046966) is 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one is COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1.
What is the InChIKey of 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
The InChIKey is XFGGMMCYYNWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O9/c1-16-11-21(34)29-22(35)13-24(40-26(29)12-16)18-5-9-20(10-6-18)39-32-28(38-2)15-27-30(31(32)37)23(36)14-25(41-27)17-3-7-19(33)8-4-17/h3-15,33-34,37H,1-2H3.
What are the key properties of 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one?
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one has a molecular weight of 550.52 g/mol, XLogP of 6.46, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 163046966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).