(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione

C22H20O6 — CID 42506631

IUPAC(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)cc1O
InChIInChI=1S/C22H20O6/c1-10-7-18-20(11(2)12(3)22(25)28-18)21-19(10)15(24)9-17(27-21)13-5-6-16(26-4)14(23)8-13/h5-8,17,23H,9H2,1-4H3/t17-/m1/s1
InChIKeyHGGNIRHLMOHKMD-QGZVFWFLSA-N
MW380.40 g/mol
LogP4.14
Rot. Bonds2

About (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione

(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 42506631) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID42506631
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)cc1O
InChIInChI=1S/C22H20O6/c1-10-7-18-20(11(2)12(3)22(25)28-18)21-19(10)15(24)9-17(27-21)13-5-6-16(26-4)14(23)8-13/h5-8,17,23H,9H2,1-4H3/t17-/m1/s1
InChIKeyHGGNIRHLMOHKMD-QGZVFWFLSA-N
XLogP4.14
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507001
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
(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506793
(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)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 141392806
methyl 4-[(4S)-8-methyl-6,12-dioxo-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraen-4-yl]benzoate
CID 42507181
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 14259000
(2S)-5-methyl-2-(2,4,5-trimethoxyphenyl)-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (CID 42506631) is (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)cc1O.
What is the InChIKey of (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is HGGNIRHLMOHKMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20O6/c1-10-7-18-20(11(2)12(3)22(25)28-18)21-19(10)15(24)9-17(27-21)13-5-6-16(26-4)14(23)8-13/h5-8,17,23H,9H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 380.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 42506631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).