ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate

C15H16O4 — CID 102052598

IUPACethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)CC1c1ccccc1
InChIInChI=1S/C15H16O4/c1-3-18-15(17)14-10(2)19-13(16)9-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKeyQARIBIJPTFRIBS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.55
Rot. Bonds3

About ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate

ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate (PubChem CID 102052598) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
PubChem CID102052598
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)CC1c1ccccc1
InChIInChI=1S/C15H16O4/c1-3-18-15(17)14-10(2)19-13(16)9-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKeyQARIBIJPTFRIBS-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

U-96988
CID 54686718
5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one
CID 54685311
6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[B]pyran-2-one
CID 54708746
Hhpp-cpo
CID 54684772
4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)-2H-pyran-2-one
CID 54688880
4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688882
4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688883
Diethyl 2,4-diacetyl-3-phenylpentanedioate
CID 297900
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-1,2,6-trimethyl-4-phenyl-, diethyl ester
CID 623049
4-hydroxy-3-(1-phenylpentyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688005
4-hydroxy-3-(3-methyl-1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688006
Diethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
CID 1142028

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate (CID 102052598) is ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate is CCOC(=O)C1=C(C)OC(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
The InChIKey is QARIBIJPTFRIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-3-18-15(17)14-10(2)19-13(16)9-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3.
What are the key properties of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate is sourced from PubChem (CID 102052598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).