(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C24H16O6 — CID 97424899

IUPAC(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C24H16O6/c25-15-8-4-7-14(9-15)16-10-21(28)29-20-12-18(27)23-17(26)11-19(30-24(23)22(16)20)13-5-2-1-3-6-13/h1-9,11-12,16,25,27H,10H2/t16-/m0/s1
InChIKeyJJWSFBNOCLGOQV-INIZCTEOSA-N
MW400.39 g/mol
LogP4.31
Rot. Bonds2

About (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97424899) has the molecular formula C24H16O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97424899
Molecular FormulaC24H16O6
Molecular Weight400.39 g/mol
Exact Mass400.09
IUPAC Name(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C24H16O6/c25-15-8-4-7-14(9-15)16-10-21(28)29-20-12-18(27)23-17(26)11-19(30-24(23)22(16)20)13-5-2-1-3-6-13/h1-9,11-12,16,25,27H,10H2/t16-/m0/s1
InChIKeyJJWSFBNOCLGOQV-INIZCTEOSA-N
XLogP4.31
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97424899) is (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@@H](c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1.
What is the InChIKey of (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is JJWSFBNOCLGOQV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H16O6/c25-15-8-4-7-14(9-15)16-10-21(28)29-20-12-18(27)23-17(26)11-19(30-24(23)22(16)20)13-5-2-1-3-6-13/h1-9,11-12,16,25,27H,10H2/t16-/m0/s1.
What are the key properties of (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 400.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97424899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).