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

C24H24O6 — CID 42506793

IUPAC(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(O)c(OC)c1)CC3=O
InChIInChI=1S/C24H24O6/c1-4-5-6-15-11-21(27)29-20-9-13(2)22-17(26)12-18(30-24(22)23(15)20)14-7-8-16(25)19(10-14)28-3/h7-11,18,25H,4-6,12H2,1-3H3/t18-/m1/s1
InChIKeyPOMHTPFXPZXWPY-GOSISDBHSA-N
MW408.45 g/mol
LogP4.86
Rot. Bonds5

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

(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 42506793) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID42506793
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(O)c(OC)c1)CC3=O
InChIInChI=1S/C24H24O6/c1-4-5-6-15-11-21(27)29-20-9-13(2)22-17(26)12-18(30-24(22)23(15)20)14-7-8-16(25)19(10-14)28-3/h7-11,18,25H,4-6,12H2,1-3H3/t18-/m1/s1
InChIKeyPOMHTPFXPZXWPY-GOSISDBHSA-N
XLogP4.86
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.86
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)-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3,9,10,11,12-hexahydroisochromeno[3,4-h]chromene-4,8-dione
CID 42507001
(2R)-2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506641
(2R)-2-(3-hydroxy-4-methoxyphenyl)-5,9,10-trimethyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506631
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 141392806
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
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
potassium;(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;hydride
CID 173056573
4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206581
[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl] hexadecanoate
CID 101343762
(2R)-5,9,10-trimethyl-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
CID 42506713

Frequently Asked Questions

What is the IUPAC name of (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione (CID 42506793) is (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(O)c(OC)c1)CC3=O.
What is the InChIKey of (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is POMHTPFXPZXWPY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24O6/c1-4-5-6-15-11-21(27)29-20-9-13(2)22-17(26)12-18(30-24(22)23(15)20)14-7-8-16(25)19(10-14)28-3/h7-11,18,25H,4-6,12H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione?
(2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 408.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-10-butyl-2-(4-hydroxy-3-methoxyphenyl)-5-methyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 42506793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).