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

C24H14F2O6 — CID 71825843

IUPAC10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2ccc(F)cc2F)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C24H14F2O6/c25-12-3-6-14(17(26)7-12)15-8-20(29)32-19-9-18(28)22-23(30)16(10-31-24(22)21(15)19)11-1-4-13(27)5-2-11/h1-7,9-10,15,27-28H,8H2
InChIKeyBLHOCPCSVSHPNF-UHFFFAOYSA-N
MW436.37 g/mol
LogP4.59
Rot. Bonds2

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

10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71825843) has the molecular formula C24H14F2O6 and a molecular weight of 436.37 g/mol. Its IUPAC name is 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71825843
Molecular FormulaC24H14F2O6
Molecular Weight436.37 g/mol
Exact Mass436.08
IUPAC Name10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2ccc(F)cc2F)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C24H14F2O6/c25-12-3-6-14(17(26)7-12)15-8-20(29)32-19-9-18(28)22-23(30)16(10-31-24(22)21(15)19)11-1-4-13(27)5-2-11/h1-7,9-10,15,27-28H,8H2
InChIKeyBLHOCPCSVSHPNF-UHFFFAOYSA-N
XLogP4.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.59
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 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71825843) is 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1CC(c2ccc(F)cc2F)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1.
What is the InChIKey of 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is BLHOCPCSVSHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2O6/c25-12-3-6-14(17(26)7-12)15-8-20(29)32-19-9-18(28)22-23(30)16(10-31-24(22)21(15)19)11-1-4-13(27)5-2-11/h1-7,9-10,15,27-28H,8H2.
What are the key properties of 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 436.37 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71825843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).