6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one

C25H16O10 — CID 54731641

IUPAC6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C25H16O10/c1-32-20-10-19-23(16(29)9-21(30)35-19)24(31)25(20)33-13-4-2-11(3-5-13)17-8-15(28)22-14(27)6-12(26)7-18(22)34-17/h2-10,26-27,29,31H,1H3
InChIKeyLIOWMAULVGQGQT-UHFFFAOYSA-N
MW476.39 g/mol
LogP4.19
Rot. Bonds4

About 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one

6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one (PubChem CID 54731641) has the molecular formula C25H16O10 and a molecular weight of 476.39 g/mol. Its IUPAC name is 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one.

Molecular Properties

Compound Name6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
PubChem CID54731641
Molecular FormulaC25H16O10
Molecular Weight476.39 g/mol
Exact Mass476.07
IUPAC Name6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C25H16O10/c1-32-20-10-19-23(16(29)9-21(30)35-19)24(31)25(20)33-13-4-2-11(3-5-13)17-8-15(28)22-14(27)6-12(26)7-18(22)34-17/h2-10,26-27,29,31H,1H3
InChIKeyLIOWMAULVGQGQT-UHFFFAOYSA-N
XLogP4.19
TPSA159.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
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
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
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 71665818
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one?
The IUPAC name of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one (CID 54731641) is 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one.
What is the SMILES notation for 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one?
The canonical SMILES for 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one is COc1cc2oc(=O)cc(O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.
What is the InChIKey of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one?
The InChIKey is LIOWMAULVGQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O10/c1-32-20-10-19-23(16(29)9-21(30)35-19)24(31)25(20)33-13-4-2-11(3-5-13)17-8-15(28)22-14(27)6-12(26)7-18(22)34-17/h2-10,26-27,29,31H,1H3.
What are the key properties of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one?
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one has a molecular weight of 476.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one is sourced from PubChem (CID 54731641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).