5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate

C17H16O7 — CID 129129992

IUPAC5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
SMILESCCOC(=O)c1coc(C(=O)OC)c(OCc2ccccc2)c1=O
InChIInChI=1S/C17H16O7/c1-3-22-16(19)12-10-24-15(17(20)21-2)14(13(12)18)23-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyYXEHZQRGZYGUGT-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.18
Rot. Bonds6

About 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate

5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate (PubChem CID 129129992) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
PubChem CID129129992
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
SMILESCCOC(=O)c1coc(C(=O)OC)c(OCc2ccccc2)c1=O
InChIInChI=1S/C17H16O7/c1-3-22-16(19)12-10-24-15(17(20)21-2)14(13(12)18)23-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyYXEHZQRGZYGUGT-UHFFFAOYSA-N
XLogP2.18
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 58067095
methyl 5-[1-[(4-fluoro-2-methylphenyl)methylamino]ethenyl]-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 155155698
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
tert-butyl (2E)-2-(dimethylaminomethylidene)-3-oxo-4-phenylmethoxybutanoate;5-O-tert-butyl 2-O-ethyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
CID 158273272
diethyl 4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 129129880
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
1-(2,4-difluorophenyl)-N-methylmethanamine;methyl 5-formyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 155699761
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
CID 122441506
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate (CID 129129992) is 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate is CCOC(=O)c1coc(C(=O)OC)c(OCc2ccccc2)c1=O.
What is the InChIKey of 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate?
The InChIKey is YXEHZQRGZYGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O7/c1-3-22-16(19)12-10-24-15(17(20)21-2)14(13(12)18)23-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate?
5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate has a molecular weight of 332.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate is sourced from PubChem (CID 129129992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).