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

C23H18O9 — CID 87782624

IUPAC3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCOc1cccc2c(O)c(C3c4c(c5cccc(OC)c5oc4=O)OC3OC)c(=O)oc12
InChIInChI=1S/C23H18O9/c1-27-12-8-4-6-10-17(24)15(21(25)30-18(10)12)14-16-20(32-23(14)29-3)11-7-5-9-13(28-2)19(11)31-22(16)26/h4-9,14,23-24H,1-3H3
InChIKeyLZCOKUAFKVUYSG-UHFFFAOYSA-N
MW438.39 g/mol
LogP3.12
Rot. Bonds4

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

3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one (PubChem CID 87782624) has the molecular formula C23H18O9 and a molecular weight of 438.39 g/mol. Its IUPAC name is 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
PubChem CID87782624
Molecular FormulaC23H18O9
Molecular Weight438.39 g/mol
Exact Mass438.10
IUPAC Name3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESCOc1cccc2c(O)c(C3c4c(c5cccc(OC)c5oc4=O)OC3OC)c(=O)oc12
InChIInChI=1S/C23H18O9/c1-27-12-8-4-6-10-17(24)15(21(25)30-18(10)12)14-16-20(32-23(14)29-3)11-7-5-9-13(28-2)19(11)31-22(16)26/h4-9,14,23-24H,1-3H3
InChIKeyLZCOKUAFKVUYSG-UHFFFAOYSA-N
XLogP3.12
TPSA117.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The IUPAC name of 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one (CID 87782624) is 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The canonical SMILES for 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one is COc1cccc2c(O)c(C3c4c(c5cccc(OC)c5oc4=O)OC3OC)c(=O)oc12.
What is the InChIKey of 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The InChIKey is LZCOKUAFKVUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O9/c1-27-12-8-4-6-10-17(24)15(21(25)30-18(10)12)14-16-20(32-23(14)29-3)11-7-5-9-13(28-2)19(11)31-22(16)26/h4-9,14,23-24H,1-3H3.
What are the key properties of 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one has a molecular weight of 438.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one is sourced from PubChem (CID 87782624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).