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

C21H18O6 — CID 71825881

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCC(C)C1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21
InChIInChI=1S/C21H18O6/c1-10(2)13-7-17(24)27-16-8-15(23)19-20(25)14(9-26-21(19)18(13)16)11-3-5-12(22)6-4-11/h3-6,8-10,13,22-23H,7H2,1-2H3
InChIKeyFJNQFRAWUCQLMZ-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.92
Rot. Bonds2

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

5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71825881) has the molecular formula C21H18O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71825881
Molecular FormulaC21H18O6
Molecular Weight366.37 g/mol
Exact Mass366.11
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCC(C)C1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21
InChIInChI=1S/C21H18O6/c1-10(2)13-7-17(24)27-16-8-15(23)19-20(25)14(9-26-21(19)18(13)16)11-3-5-12(22)6-4-11/h3-6,8-10,13,22-23H,7H2,1-2H3
InChIKeyFJNQFRAWUCQLMZ-UHFFFAOYSA-N
XLogP3.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(10S)-5-hydroxy-3-(4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045912
5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826516
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424476
5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827096
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71825843
(10R)-10-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425623
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424518
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636900
(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424032
(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424728
methyl 2-[2-[(10S)-5-hydroxy-3-(4-hydroxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 97424210

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71825881) is 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is CC(C)C1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is FJNQFRAWUCQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O6/c1-10(2)13-7-17(24)27-16-8-15(23)19-20(25)14(9-26-21(19)18(13)16)11-3-5-12(22)6-4-11/h3-6,8-10,13,22-23H,7H2,1-2H3.
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 366.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71825881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).