(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione

C24H24O6 — CID 42506641

IUPAC(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1OC)CC3=O
InChIInChI=1S/C24H24O6/c1-5-6-14-10-21(26)29-20-9-13(2)22-17(25)12-19(30-24(22)23(14)20)16-8-7-15(27-3)11-18(16)28-4/h7-11,19H,5-6,12H2,1-4H3/t19-/m1/s1
InChIKeyOZMCKIQIRHEUTO-LJQANCHMSA-N
MW408.45 g/mol
LogP4.78
Rot. Bonds5

About (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione

(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 42506641) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID42506641
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1OC)CC3=O
InChIInChI=1S/C24H24O6/c1-5-6-14-10-21(26)29-20-9-13(2)22-17(25)12-19(30-24(22)23(14)20)16-8-7-15(27-3)11-18(16)28-4/h7-11,19H,5-6,12H2,1-4H3/t19-/m1/s1
InChIKeyOZMCKIQIRHEUTO-LJQANCHMSA-N
XLogP4.78
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506793
(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one
CID 163105544
2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 44608053
(2R)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506713
(2S)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506712
(2S)-5-methyl-2-(2,4,5-trimethoxyphenyl)-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507193
(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506631
4-(3,4-dimethoxyphenyl)-8-methyl-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42648654
(4R)-8-methyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42507073
(4S)-8-methyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-6,12-dione
CID 42507072
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507001

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (CID 42506641) is (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1OC)CC3=O.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is OZMCKIQIRHEUTO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24O6/c1-5-6-14-10-21(26)29-20-9-13(2)22-17(25)12-19(30-24(22)23(14)20)16-8-7-15(27-3)11-18(16)28-4/h7-11,19H,5-6,12H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 408.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 42506641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).