5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C24H17NO7 — CID 91637214

IUPAC5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(c2cccnc2)CC(=O)O4)cc1O
InChIInChI=1S/C24H17NO7/c1-30-18-5-4-12(7-15(18)26)19-9-16(27)23-17(28)10-20-22(24(23)32-19)14(8-21(29)31-20)13-3-2-6-25-11-13/h2-7,9-11,14,26,28H,8H2,1H3
InChIKeyKENQLSDUAKPIRH-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.72
Rot. Bonds3

About 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 91637214) has the molecular formula C24H17NO7 and a molecular weight of 431.40 g/mol. Its IUPAC name is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID91637214
Molecular FormulaC24H17NO7
Molecular Weight431.40 g/mol
Exact Mass431.10
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(c2cccnc2)CC(=O)O4)cc1O
InChIInChI=1S/C24H17NO7/c1-30-18-5-4-12(7-15(18)26)19-9-16(27)23-17(28)10-20-22(24(23)32-19)14(8-21(29)31-20)13-3-2-6-25-11-13/h2-7,9-11,14,26,28H,8H2,1H3
InChIKeyKENQLSDUAKPIRH-UHFFFAOYSA-N
XLogP3.72
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99986406
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994284
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99987156
10-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637654
(10S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-[3-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994937
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636912
(10S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424630
(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985008
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99996722
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99990209
10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636470

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 91637214) is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(c2cccnc2)CC(=O)O4)cc1O.
What is the InChIKey of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is KENQLSDUAKPIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO7/c1-30-18-5-4-12(7-15(18)26)19-9-16(27)23-17(28)10-20-22(24(23)32-19)14(8-21(29)31-20)13-3-2-6-25-11-13/h2-7,9-11,14,26,28H,8H2,1H3.
What are the key properties of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 431.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 91637214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).