ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate

C16H18O4 — CID 101448168

IUPACethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)C(=O)O[C@@H]1C(C)C
InChIInChI=1S/C16H18O4/c1-4-19-15(17)13-12(11-8-6-5-7-9-11)16(18)20-14(13)10(2)3/h5-10,14H,4H2,1-3H3/t14-/m1/s1
InChIKeyQACQMLCYVSIXQM-CQSZACIVSA-N
MW274.32 g/mol
LogP2.58
Rot. Bonds4

About ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate

ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate (PubChem CID 101448168) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate
PubChem CID101448168
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nameethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)C(=O)O[C@@H]1C(C)C
InChIInChI=1S/C16H18O4/c1-4-19-15(17)13-12(11-8-6-5-7-9-11)16(18)20-14(13)10(2)3/h5-10,14H,4H2,1-3H3/t14-/m1/s1
InChIKeyQACQMLCYVSIXQM-CQSZACIVSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-butyl-5-oxo-4-phenyl-2H-furan-3-carboxylate
CID 86084941
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560
diethyl (2S)-4-phenyl-2H-chromene-2,3-dicarboxylate
CID 11772543
ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate
CID 170528718
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl (1S,2S,6S,7S)-5,8-dioxo-4-phenyl-10-oxatricyclo[5.2.1.02,6]dec-3-ene-3-carboxylate
CID 10543108
diethyl 2,6-dimethyl-4-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
CID 141416845
ethyl 4-ethyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 166450039
ethyl (1S,2R,6S,7S,9S)-9-hydroxy-5-oxo-4-phenyltricyclo[5.2.1.02,6]dec-3-ene-3-carboxylate
CID 101103644
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate
CID 23245119
ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 70918238

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate?
The IUPAC name of ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate (CID 101448168) is ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate?
The canonical SMILES for ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)C(=O)O[C@@H]1C(C)C.
What is the InChIKey of ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate?
The InChIKey is QACQMLCYVSIXQM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18O4/c1-4-19-15(17)13-12(11-8-6-5-7-9-11)16(18)20-14(13)10(2)3/h5-10,14H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate?
ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate is sourced from PubChem (CID 101448168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).