2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one

C22H16O7 — CID 54680617

IUPAC2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCc1ccc2oc(=O)c(C3c4c(c5cc(C)ccc5oc4=O)OC3O)c(O)c2c1
InChIInChI=1S/C22H16O7/c1-9-3-5-13-11(7-9)18(23)16(21(25)27-13)15-17-19(29-20(15)24)12-8-10(2)4-6-14(12)28-22(17)26/h3-8,15,20,23-24H,1-2H3
InChIKeySARVRUKAGYGVMD-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.06
Rot. Bonds1

About 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one

2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one (PubChem CID 54680617) has the molecular formula C22H16O7 and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
PubChem CID54680617
Molecular FormulaC22H16O7
Molecular Weight392.36 g/mol
Exact Mass392.09
IUPAC Name2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCc1ccc2oc(=O)c(C3c4c(c5cc(C)ccc5oc4=O)OC3O)c(O)c2c1
InChIInChI=1S/C22H16O7/c1-9-3-5-13-11(7-9)18(23)16(21(25)27-13)15-17-19(29-20(15)24)12-8-10(2)4-6-14(12)28-22(17)26/h3-8,15,20,23-24H,1-2H3
InChIKeySARVRUKAGYGVMD-UHFFFAOYSA-N
XLogP3.06
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

13-hydroxy-14-(4-hydroxy-2-oxobenzo[g]chromen-3-yl)-12,17-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15)-hexaen-16-one
CID 54687126
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
8-chloro-3-(6-chloro-4-hydroxy-2-oxochromen-3-yl)-2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87781539
2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87781506
9-fluoro-3-(5-fluoro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 54680618
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4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
CID 136698388
3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxy-6-methylchromen-2-one
CID 137306635
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CID 54690428
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
The IUPAC name of 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one (CID 54680617) is 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one is Cc1ccc2oc(=O)c(C3c4c(c5cc(C)ccc5oc4=O)OC3O)c(O)c2c1.
What is the InChIKey of 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
The InChIKey is SARVRUKAGYGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O7/c1-9-3-5-13-11(7-9)18(23)16(21(25)27-13)15-17-19(29-20(15)24)12-8-10(2)4-6-14(12)28-22(17)26/h3-8,15,20,23-24H,1-2H3.
What are the key properties of 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one?
2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one has a molecular weight of 392.36 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one is sourced from PubChem (CID 54680617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).