ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate

C15H14O5 — CID 13277716

IUPACethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c(-c2ccc(OC)cc2)co1
InChIInChI=1S/C15H14O5/c1-3-19-15(17)14-8-13(16)12(9-20-14)10-4-6-11(18-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyHCUMCCZXCJYZSX-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.49
Rot. Bonds4

About ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate

ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate (PubChem CID 13277716) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate
PubChem CID13277716
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Nameethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c(-c2ccc(OC)cc2)co1
InChIInChI=1S/C15H14O5/c1-3-19-15(17)14-8-13(16)12(9-20-14)10-4-6-11(18-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyHCUMCCZXCJYZSX-UHFFFAOYSA-N
XLogP2.49
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate (CID 13277716) is ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate is CCOC(=O)c1cc(=O)c(-c2ccc(OC)cc2)co1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate?
The InChIKey is HCUMCCZXCJYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-3-19-15(17)14-8-13(16)12(9-20-14)10-4-6-11(18-2)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate?
ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate has a molecular weight of 274.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate is sourced from PubChem (CID 13277716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).