6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

C20H16O6 — CID 163355823

IUPAC6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1ccc(C2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)cc1
InChIInChI=1S/C20H16O6/c1-10-7-16(22)25-19-13(10)8-15(21)20-18(19)14(9-17(23)26-20)11-3-5-12(24-2)6-4-11/h3-8,14,21H,9H2,1-2H3
InChIKeyNYFWAAIFJWDGFR-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.26
Rot. Bonds2

About 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (PubChem CID 163355823) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
PubChem CID163355823
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1ccc(C2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)cc1
InChIInChI=1S/C20H16O6/c1-10-7-16(22)25-19-13(10)8-15(21)20-18(19)14(9-17(23)26-20)11-3-5-12(24-2)6-4-11/h3-8,14,21H,9H2,1-2H3
InChIKeyNYFWAAIFJWDGFR-UHFFFAOYSA-N
XLogP3.26
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 171038297
6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355821
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157
4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
CID 101418237
6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 102564845
(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488180
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (CID 163355823) is 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is COc1ccc(C2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)cc1.
What is the InChIKey of 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The InChIKey is NYFWAAIFJWDGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-10-7-16(22)25-19-13(10)8-15(21)20-18(19)14(9-17(23)26-20)11-3-5-12(24-2)6-4-11/h3-8,14,21H,9H2,1-2H3.
What are the key properties of 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione has a molecular weight of 352.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 163355823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).