methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate

C16H16O5 — CID 58067095

IUPACmethyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
SMILESCCc1coc(C(=O)OC)c(OCc2ccccc2)c1=O
InChIInChI=1S/C16H16O5/c1-3-12-10-21-15(16(18)19-2)14(13(12)17)20-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyWFQDHVCUNFFBAP-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.57
Rot. Bonds5

About methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate

methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate (PubChem CID 58067095) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
PubChem CID58067095
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namemethyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
SMILESCCc1coc(C(=O)OC)c(OCc2ccccc2)c1=O
InChIInChI=1S/C16H16O5/c1-3-12-10-21-15(16(18)19-2)14(13(12)17)20-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyWFQDHVCUNFFBAP-UHFFFAOYSA-N
XLogP2.57
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-ethyl 2-O-methyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
CID 129129992
1-(2,4-difluorophenyl)-N-methylmethanamine;methyl 5-formyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 155699761
methyl 5-[1-[(4-fluoro-2-methylphenyl)methylamino]ethenyl]-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 155155698
methyl 8-ethyl-4-phenylmethoxyisoquinoline-3-carboxylate
CID 177153579
methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
CID 13255232
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 3-[(phenylmethoxyamino)methyl]furan-2-carboxylate
CID 82709261
methyl 2-benzofuran-1-carboxylate
CID 12871042
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
CID 142664195
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate?
The IUPAC name of methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate (CID 58067095) is methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate is CCc1coc(C(=O)OC)c(OCc2ccccc2)c1=O.
What is the InChIKey of methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate?
The InChIKey is WFQDHVCUNFFBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-3-12-10-21-15(16(18)19-2)14(13(12)17)20-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate?
methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate is sourced from PubChem (CID 58067095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).