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

C22H14O8 — CID 58668704

IUPAC2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
SMILESCOc1cccc2c(O)c(-c3cc4c(=O)oc5c(OC)cccc5c4o3)c(=O)oc12
InChIInChI=1S/C22H14O8/c1-26-13-7-3-5-10-17(23)16(22(25)30-19(10)13)15-9-12-18(28-15)11-6-4-8-14(27-2)20(11)29-21(12)24/h3-9,23H,1-2H3
InChIKeyPDAGJEJFMHXPMZ-UHFFFAOYSA-N
MW406.35 g/mol
LogP4.04
Rot. Bonds3

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

2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one (PubChem CID 58668704) has the molecular formula C22H14O8 and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
PubChem CID58668704
Molecular FormulaC22H14O8
Molecular Weight406.35 g/mol
Exact Mass406.07
IUPAC Name2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
SMILESCOc1cccc2c(O)c(-c3cc4c(=O)oc5c(OC)cccc5c4o3)c(=O)oc12
InChIInChI=1S/C22H14O8/c1-26-13-7-3-5-10-17(23)16(22(25)30-19(10)13)15-9-12-18(28-15)11-6-4-8-14(27-2)20(11)29-21(12)24/h3-9,23H,1-2H3
InChIKeyPDAGJEJFMHXPMZ-UHFFFAOYSA-N
XLogP4.04
TPSA112.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
CID 54690574
2-(4,6,7-trihydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one
CID 140850447
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
2-(4,6-dihydroxy-2-oxochromen-3-yl)-8-hydroxyfuro[3,2-c]chromen-4-one
CID 58668709
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87782624
3-fluoro-8-methoxy-4-methylchromen-2-one
CID 164597480
8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione
CID 11198778
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one?
The IUPAC name of 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one (CID 58668704) is 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one is COc1cccc2c(O)c(-c3cc4c(=O)oc5c(OC)cccc5c4o3)c(=O)oc12.
What is the InChIKey of 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one?
The InChIKey is PDAGJEJFMHXPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O8/c1-26-13-7-3-5-10-17(23)16(22(25)30-19(10)13)15-9-12-18(28-15)11-6-4-8-14(27-2)20(11)29-21(12)24/h3-9,23H,1-2H3.
What are the key properties of 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one?
2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one has a molecular weight of 406.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 58668704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).