methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate

C18H8O8 — CID 135191795

IUPACmethyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate
SMILESCOC(=O)c1cc2c(=O)c3cc4c(cc3oc2cc1C=O)C(=O)OC4=O
InChIInChI=1S/C18H8O8/c1-24-16(21)8-3-11-13(2-7(8)6-19)25-14-5-10-9(4-12(14)15(11)20)17(22)26-18(10)23/h2-6H,1H3
InChIKeyGVFOQMDRIIMOET-UHFFFAOYSA-N
MW352.25 g/mol
LogP1.86
Rot. Bonds2

About methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate

methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate (PubChem CID 135191795) has the molecular formula C18H8O8 and a molecular weight of 352.25 g/mol. Its IUPAC name is methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate
PubChem CID135191795
Molecular FormulaC18H8O8
Molecular Weight352.25 g/mol
Exact Mass352.02
IUPAC Namemethyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate
SMILESCOC(=O)c1cc2c(=O)c3cc4c(cc3oc2cc1C=O)C(=O)OC4=O
InChIInChI=1S/C18H8O8/c1-24-16(21)8-3-11-13(2-7(8)6-19)25-14-5-10-9(4-12(14)15(11)20)17(22)26-18(10)23/h2-6H,1H3
InChIKeyGVFOQMDRIIMOET-UHFFFAOYSA-N
XLogP1.86
TPSA116.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate with MolForge

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Related Compounds

methyl 13-formyl-4,6-dioxo-5-oxatetracyclo[7.6.0.03,7.010,15]pentadeca-1,3(7),8,10(15),11,13-hexaene-12-carboxylate
CID 145312619
dimethyl 7-chloro-9-oxoxanthene-2,3-dicarboxylate
CID 10688963
methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate
CID 144649891
methyl 4-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-formylbenzoate
CID 139544915
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695
methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
CID 144983878
methyl 5-fluoro-2-oxochromene-3-carboxylate
CID 166609254
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
methyl 7-chloro-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 3797554
2,3-dibenzoyl-7-chloroxanthen-9-one
CID 10646706
dimethyl dibenzofuran-1,2-dicarboxylate
CID 18366725
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585

Frequently Asked Questions

What is the IUPAC name of methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate?
The IUPAC name of methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate (CID 135191795) is methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate.
What is the SMILES notation for methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate?
The canonical SMILES for methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate is COC(=O)c1cc2c(=O)c3cc4c(cc3oc2cc1C=O)C(=O)OC4=O.
What is the InChIKey of methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate?
The InChIKey is GVFOQMDRIIMOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8O8/c1-24-16(21)8-3-11-13(2-7(8)6-19)25-14-5-10-9(4-12(14)15(11)20)17(22)26-18(10)23/h2-6H,1H3.
What are the key properties of methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate?
methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate has a molecular weight of 352.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-formyl-1,3,10-trioxofuro[3,4-b]xanthene-8-carboxylate is sourced from PubChem (CID 135191795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).