methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate

C15H13FO4 — CID 102359711

IUPACmethyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate
SMILESCCc1oc(=O)c(C(=O)OC)cc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FO4/c1-3-13-11(9-4-6-10(16)7-5-9)8-12(14(17)19-2)15(18)20-13/h4-8H,3H2,1-2H3
InChIKeyGGIJCELPXZNXFN-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.79
Rot. Bonds3

About methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate

methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate (PubChem CID 102359711) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate
PubChem CID102359711
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Namemethyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate
SMILESCCc1oc(=O)c(C(=O)OC)cc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FO4/c1-3-13-11(9-4-6-10(16)7-5-9)8-12(14(17)19-2)15(18)20-13/h4-8H,3H2,1-2H3
InChIKeyGGIJCELPXZNXFN-UHFFFAOYSA-N
XLogP2.79
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-ethyl-2-oxo-5-(4-phenylphenyl)pyran-3-carboxylate
CID 102359715
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
methyl 2-[(4-fluorophenyl)methylamino]-5-oxothieno[3,2-b]pyran-6-carboxylate
CID 139550010
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
CID 68514199
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate
CID 90686203
methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
methyl 4-(bromomethyl)-2-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
CID 67530278
methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 18324387
methyl 5-fluoro-2-oxochromene-3-carboxylate
CID 166609254
methyl 5-ethyl-2-[(4-fluorophenyl)carbamothioylamino]thiophene-3-carboxylate
CID 3296701
methyl 4-(ethoxymethyl)-3-(4-fluorophenyl)benzoate
CID 134391727

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate?
The IUPAC name of methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate (CID 102359711) is methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate?
The canonical SMILES for methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate is CCc1oc(=O)c(C(=O)OC)cc1-c1ccc(F)cc1.
What is the InChIKey of methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate?
The InChIKey is GGIJCELPXZNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-3-13-11(9-4-6-10(16)7-5-9)8-12(14(17)19-2)15(18)20-13/h4-8H,3H2,1-2H3.
What are the key properties of methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate?
methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate has a molecular weight of 276.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-5-(4-fluorophenyl)-2-oxopyran-3-carboxylate is sourced from PubChem (CID 102359711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).