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

C16H18O4 — CID 141454268

IUPACethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(CC)OC(=O)CC1c1ccccc1
InChIInChI=1S/C16H18O4/c1-3-13-15(16(18)19-4-2)12(10-14(17)20-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyTUYOKUYATPKHPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.94
Rot. Bonds4

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

ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate (PubChem CID 141454268) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
PubChem CID141454268
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nameethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(CC)OC(=O)CC1c1ccccc1
InChIInChI=1S/C16H18O4/c1-3-13-15(16(18)19-4-2)12(10-14(17)20-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyTUYOKUYATPKHPE-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 132547002
ethyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 757835
ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate
CID 102078625
ethyl (4R)-6-amino-5-cyano-2-ethyl-4-phenyl-4H-pyran-3-carboxylate
CID 766134
ethyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 4545455
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
ethyl 2-(benzylamino)-5-methyl-3-phenylcyclopentene-1-carboxylate
CID 85374780
ethyl 4-phenyl-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 102424164
ethyl (4R)-6-methyl-2-oxo-4-phenyl-1-[[5-(propylcarbamoyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 7440057
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
The IUPAC name of ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate (CID 141454268) is ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
The canonical SMILES for ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate is CCOC(=O)C1=C(CC)OC(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
The InChIKey is TUYOKUYATPKHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-13-15(16(18)19-4-2)12(10-14(17)20-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate?
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate is sourced from PubChem (CID 141454268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).