5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione

C28H24O10 — CID 160888115

IUPAC5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
SMILESCc1cc(=O)oc2c3c(cc(O)c12)OC(C)CC3=O.Cc1cc(=O)oc2cc3c(c(O)c12)C(=O)CC(C)O3
InChIInChI=1S/2C14H12O5/c1-6-3-11(16)19-9-5-10-13(14(17)12(6)9)8(15)4-7(2)18-10;1-6-3-11(17)19-14-12(6)9(16)5-10-13(14)8(15)4-7(2)18-10/h3,5,7,17H,4H2,1-2H3;3,5,7,16H,4H2,1-2H3
InChIKeySNXGILOVNRNULA-UHFFFAOYSA-N
MW520.49 g/mol
LogP4.32
Rot. Bonds

About 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione

5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione (PubChem CID 160888115) has the molecular formula C28H24O10 and a molecular weight of 520.49 g/mol. Its IUPAC name is 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione.

Molecular Properties

Compound Name5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
PubChem CID160888115
Molecular FormulaC28H24O10
Molecular Weight520.49 g/mol
Exact Mass520.14
IUPAC Name5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
SMILESCc1cc(=O)oc2c3c(cc(O)c12)OC(C)CC3=O.Cc1cc(=O)oc2cc3c(c(O)c12)C(=O)CC(C)O3
InChIInChI=1S/2C14H12O5/c1-6-3-11(16)19-9-5-10-13(14(17)12(6)9)8(15)4-7(2)18-10;1-6-3-11(17)19-14-12(6)9(16)5-10-13(14)8(15)4-7(2)18-10/h3,5,7,17H,4H2,1-2H3;3,5,7,16H,4H2,1-2H3
InChIKeySNXGILOVNRNULA-UHFFFAOYSA-N
XLogP4.32
TPSA153.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The IUPAC name of 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione (CID 160888115) is 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione.
What is the SMILES notation for 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The canonical SMILES for 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione is Cc1cc(=O)oc2c3c(cc(O)c12)OC(C)CC3=O.Cc1cc(=O)oc2cc3c(c(O)c12)C(=O)CC(C)O3.
What is the InChIKey of 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The InChIKey is SNXGILOVNRNULA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12O5/c1-6-3-11(16)19-9-5-10-13(14(17)12(6)9)8(15)4-7(2)18-10;1-6-3-11(17)19-14-12(6)9(16)5-10-13(14)8(15)4-7(2)18-10/h3,5,7,17H,4H2,1-2H3;3,5,7,16H,4H2,1-2H3.
What are the key properties of 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione has a molecular weight of 520.49 g/mol, XLogP of 4.32, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione;5-hydroxy-4,8-dimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione is sourced from PubChem (CID 160888115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).