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

C16H18O5 — CID 102078625

IUPACethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(OCC)OC(=O)C(c2ccccc2)C1
InChIInChI=1S/C16H18O5/c1-3-19-14(17)13-10-12(11-8-6-5-7-9-11)15(18)21-16(13)20-4-2/h5-9,12H,3-4,10H2,1-2H3
InChIKeyUMGYDDWOCDNNMN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.53
Rot. Bonds5

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

ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate (PubChem CID 102078625) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate
PubChem CID102078625
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(OCC)OC(=O)C(c2ccccc2)C1
InChIInChI=1S/C16H18O5/c1-3-19-14(17)13-10-12(11-8-6-5-7-9-11)15(18)21-16(13)20-4-2/h5-9,12H,3-4,10H2,1-2H3
InChIKeyUMGYDDWOCDNNMN-UHFFFAOYSA-N
XLogP2.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268
ethyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 757835
ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate
CID 92859017
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
ethyl 6-[(4-ethoxyphenyl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55463748
ethyl 2-(benzylamino)-5-methyl-3-phenylcyclopentene-1-carboxylate
CID 85374780
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
CID 136903474
ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
CID 15310447

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate?
The IUPAC name of ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate (CID 102078625) is ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate is CCOC(=O)C1=C(OCC)OC(=O)C(c2ccccc2)C1.
What is the InChIKey of ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate?
The InChIKey is UMGYDDWOCDNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-19-14(17)13-10-12(11-8-6-5-7-9-11)15(18)21-16(13)20-4-2/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate?
ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-2-oxo-3-phenyl-3,4-dihydropyran-5-carboxylate is sourced from PubChem (CID 102078625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).