3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C27H22O6 — CID 75491285

IUPAC3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCC(C)Oc1ccc(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1
InChIInChI=1S/C27H22O6/c1-15(2)32-19-9-5-16(6-10-19)21-13-24(29)33-23-12-11-20-26(30)22(14-31-27(20)25(21)23)17-3-7-18(28)8-4-17/h3-12,14-15,21,28H,13H2,1-2H3
InChIKeyFWSBBNGRABZQOL-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.39
Rot. Bonds4

About 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 75491285) has the molecular formula C27H22O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID75491285
Molecular FormulaC27H22O6
Molecular Weight442.47 g/mol
Exact Mass442.14
IUPAC Name3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCC(C)Oc1ccc(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1
InChIInChI=1S/C27H22O6/c1-15(2)32-19-9-5-16(6-10-19)21-13-24(29)33-23-12-11-20-26(30)22(14-31-27(20)25(21)23)17-3-7-18(28)8-4-17/h3-12,14-15,21,28H,13H2,1-2H3
InChIKeyFWSBBNGRABZQOL-UHFFFAOYSA-N
XLogP5.39
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
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 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 75491285) is 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is CC(C)Oc1ccc(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is FWSBBNGRABZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O6/c1-15(2)32-19-9-5-16(6-10-19)21-13-24(29)33-23-12-11-20-26(30)22(14-31-27(20)25(21)23)17-3-7-18(28)8-4-17/h3-12,14-15,21,28H,13H2,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 442.47 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 75491285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).