ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate

C23H16O6 — CID 24774597

IUPACethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc(=O)c2c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C23H16O6/c1-2-27-21(24)18-16-13-17(14-9-5-3-6-10-14)28-22(25)19(16)23(26)29-20(18)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyUSZKGXXUPWWVGM-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.26
Rot. Bonds4

About ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate

ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate (PubChem CID 24774597) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
PubChem CID24774597
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Nameethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc(=O)c2c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C23H16O6/c1-2-27-21(24)18-16-13-17(14-9-5-3-6-10-14)28-22(25)19(16)23(26)29-20(18)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyUSZKGXXUPWWVGM-UHFFFAOYSA-N
XLogP4.26
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-oxo-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyran-4-carboxylate
CID 10990596
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
ethyl 6-(4-tert-butylphenyl)-2-oxo-4-phenylpyran-3-carboxylate
CID 138984794
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate
CID 822829
ethyl 2-phenyl-5-(2-sulfanylideneethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539661
ethyl 4-chloro-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 23267424
ethyl 5-(2-bromobenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 4997487
ethyl 6-nitro-4-oxo-2-phenylchromene-3-carboxylate
CID 132514498

Frequently Asked Questions

What is the IUPAC name of ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate?
The IUPAC name of ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate (CID 24774597) is ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate.
What is the SMILES notation for ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate?
The canonical SMILES for ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc(=O)c2c(=O)oc(-c3ccccc3)cc12.
What is the InChIKey of ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate?
The InChIKey is USZKGXXUPWWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c1-2-27-21(24)18-16-13-17(14-9-5-3-6-10-14)28-22(25)19(16)23(26)29-20(18)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate?
ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate is sourced from PubChem (CID 24774597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).