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

C24H20O9 — CID 87781506

IUPAC2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCCOC1Oc2c(c(=O)oc3ccc(OC)cc23)C1c1c(O)c2cc(OC)ccc2oc1=O
InChIInChI=1S/C24H20O9/c1-4-30-24-17(18-20(25)13-9-11(28-2)5-7-15(13)31-22(18)26)19-21(33-24)14-10-12(29-3)6-8-16(14)32-23(19)27/h5-10,17,24-25H,4H2,1-3H3
InChIKeyKAOXUSOHMKCJFW-UHFFFAOYSA-N
MW452.42 g/mol
LogP3.51
Rot. Bonds5

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

2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one (PubChem CID 87781506) has the molecular formula C24H20O9 and a molecular weight of 452.42 g/mol. Its IUPAC name is 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
PubChem CID87781506
Molecular FormulaC24H20O9
Molecular Weight452.42 g/mol
Exact Mass452.11
IUPAC Name2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCCOC1Oc2c(c(=O)oc3ccc(OC)cc23)C1c1c(O)c2cc(OC)ccc2oc1=O
InChIInChI=1S/C24H20O9/c1-4-30-24-17(18-20(25)13-9-11(28-2)5-7-15(13)31-22(18)26)19-21(33-24)14-10-12(29-3)6-8-16(14)32-23(19)27/h5-10,17,24-25H,4H2,1-3H3
InChIKeyKAOXUSOHMKCJFW-UHFFFAOYSA-N
XLogP3.51
TPSA117.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-3-(6-chloro-4-hydroxy-2-oxochromen-3-yl)-2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87781539
4-hydroxy-6-methoxy-3-(3-oxo-1H-2-benzofuran-1-yl)chromen-2-one
CID 54748924
2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 54680617
15-ethoxy-14-(1-hydroxy-3-oxoxanthen-2-yl)-11,16-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17)-hexaen-12-one
CID 87782102
4-hydroxy-6-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299735
6,7-dihydroxy-2-methoxy-3-(4,7,8-trihydroxy-2-oxochromen-3-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 54725374
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
3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87782624
ethyl (2R,3S)-3-(3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544275
ethyl 3-(3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71753713
ethyl (2R,3R)-4-oxo-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544767
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71754351

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The IUPAC name of 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one (CID 87781506) is 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one is CCOC1Oc2c(c(=O)oc3ccc(OC)cc23)C1c1c(O)c2cc(OC)ccc2oc1=O.
What is the InChIKey of 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The InChIKey is KAOXUSOHMKCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O9/c1-4-30-24-17(18-20(25)13-9-11(28-2)5-7-15(13)31-22(18)26)19-21(33-24)14-10-12(29-3)6-8-16(14)32-23(19)27/h5-10,17,24-25H,4H2,1-3H3.
What are the key properties of 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one has a molecular weight of 452.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-hydroxy-6-methoxy-2-oxochromen-3-yl)-8-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one is sourced from PubChem (CID 87781506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).