2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one

C48H36O12 — CID 87885278

IUPAC2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one
SMILESCc1cc(C)c2oc(=O)c(-c3cc4c(=O)oc5c(C)cc(C)cc5c4o3)c(O)c2c1.Cc1ccc2c(O)c(-c3cc4c(=O)oc5c(C)c(C)ccc5c4o3)c(=O)oc2c1C
InChIInChI=1S/2C24H18O6/c1-10-5-12(3)20-14(7-10)19(25)18(24(27)30-20)17-9-16-22(28-17)15-8-11(2)6-13(4)21(15)29-23(16)26;1-10-5-7-14-19(25)18(24(27)30-20(14)12(10)3)17-9-16-22(28-17)15-8-6-11(2)13(4)21(15)29-23(16)26/h2*5-9,25H,1-4H3
InChIKeyWYJJMIWIQIOIEF-UHFFFAOYSA-N
MW804.80 g/mol
LogP10.50
Rot. Bonds2

About 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one

2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one (PubChem CID 87885278) has the molecular formula C48H36O12 and a molecular weight of 804.80 g/mol. Its IUPAC name is 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one
PubChem CID87885278
Molecular FormulaC48H36O12
Molecular Weight804.80 g/mol
Exact Mass804.22
IUPAC Name2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one
SMILESCc1cc(C)c2oc(=O)c(-c3cc4c(=O)oc5c(C)cc(C)cc5c4o3)c(O)c2c1.Cc1ccc2c(O)c(-c3cc4c(=O)oc5c(C)c(C)ccc5c4o3)c(=O)oc2c1C
InChIInChI=1S/2C24H18O6/c1-10-5-12(3)20-14(7-10)19(25)18(24(27)30-20)17-9-16-22(28-17)15-8-11(2)6-13(4)21(15)29-23(16)26;1-10-5-7-14-19(25)18(24(27)30-20(14)12(10)3)17-9-16-22(28-17)15-8-6-11(2)13(4)21(15)29-23(16)26/h2*5-9,25H,1-4H3
InChIKeyWYJJMIWIQIOIEF-UHFFFAOYSA-N
XLogP10.50
TPSA187.58 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.80
LogP ≤ 510.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one?
The IUPAC name of 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one (CID 87885278) is 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one is Cc1cc(C)c2oc(=O)c(-c3cc4c(=O)oc5c(C)cc(C)cc5c4o3)c(O)c2c1.Cc1ccc2c(O)c(-c3cc4c(=O)oc5c(C)c(C)ccc5c4o3)c(=O)oc2c1C.
What is the InChIKey of 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one?
The InChIKey is WYJJMIWIQIOIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18O6/c1-10-5-12(3)20-14(7-10)19(25)18(24(27)30-20)17-9-16-22(28-17)15-8-11(2)6-13(4)21(15)29-23(16)26;1-10-5-7-14-19(25)18(24(27)30-20(14)12(10)3)17-9-16-22(28-17)15-8-6-11(2)13(4)21(15)29-23(16)26/h2*5-9,25H,1-4H3.
What are the key properties of 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one?
2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one has a molecular weight of 804.80 g/mol, XLogP of 10.50, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6,8-dimethyl-2-oxochromen-3-yl)-6,8-dimethylfuro[3,2-c]chromen-4-one;2-(4-hydroxy-7,8-dimethyl-2-oxochromen-3-yl)-6,7-dimethylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 87885278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).