(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

C27H20O7 — CID 124879339

IUPAC(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc2c1OCO2
InChIInChI=1S/C27H20O7/c1-14-8-19-25(17(11-22(28)33-19)15-6-4-3-5-7-15)27-24(14)18(12-23(29)34-27)16-9-20(30-2)26-21(10-16)31-13-32-26/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyRXWXRCNGGHBPRA-GOSISDBHSA-N
MW456.45 g/mol
LogP4.95
Rot. Bonds3

About (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 124879339) has the molecular formula C27H20O7 and a molecular weight of 456.45 g/mol. Its IUPAC name is (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID124879339
Molecular FormulaC27H20O7
Molecular Weight456.45 g/mol
Exact Mass456.12
IUPAC Name(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc2c1OCO2
InChIInChI=1S/C27H20O7/c1-14-8-19-25(17(11-22(28)33-19)15-6-4-3-5-7-15)27-24(14)18(12-23(29)34-27)16-9-20(30-2)26-21(10-16)31-13-32-26/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyRXWXRCNGGHBPRA-GOSISDBHSA-N
XLogP4.95
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206398
(4S)-4-(1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124876785
4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206029
4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206581
(4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124875933
(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488180
4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110207822
(10S)-3-(4-chlorophenyl)-5-hydroxy-10-(7-methoxy-1,3-benzodioxol-5-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 124880033
3-(4-chlorophenyl)-5-hydroxy-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 110205902
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206492
(10S)-5-methoxy-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97046109
(10R)-10-(7-chloro-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97487849

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (CID 124879339) is (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is COc1cc([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc2c1OCO2.
What is the InChIKey of (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is RXWXRCNGGHBPRA-GOSISDBHSA-N. The full InChI is InChI=1S/C27H20O7/c1-14-8-19-25(17(11-22(28)33-19)15-6-4-3-5-7-15)27-24(14)18(12-23(29)34-27)16-9-20(30-2)26-21(10-16)31-13-32-26/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 456.45 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 124879339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).