ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate

C16H18O4 — CID 102486020

IUPACethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
SMILESCCOC(=O)C1OC(C)=C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C16H18O4/c1-4-19-16(18)15-14(12-8-6-5-7-9-12)13(10(2)17)11(3)20-15/h5-9,14-15H,4H2,1-3H3
InChIKeyLHABTOVEPNCEEC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.60
Rot. Bonds4

About ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate

ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate (PubChem CID 102486020) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
PubChem CID102486020
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nameethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
SMILESCCOC(=O)C1OC(C)=C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C16H18O4/c1-4-19-16(18)15-14(12-8-6-5-7-9-12)13(10(2)17)11(3)20-15/h5-9,14-15H,4H2,1-3H3
InChIKeyLHABTOVEPNCEEC-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (2R,3R)-6-bromo-3-phenyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 71519814
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone
CID 46218459
ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 23561154
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl 2-imino-5-phenyl-1,3-oxathiolane-4-carboxylate
CID 585137
ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 10563681
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl 3-benzyloxirane-2-carboxylate
CID 526766
diethyl 2-phenyl-1,3,2-dioxaborolane-4,5-dicarboxylate
CID 134849407
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate (CID 102486020) is ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate is CCOC(=O)C1OC(C)=C(C(C)=O)C1c1ccccc1.
What is the InChIKey of ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate?
The InChIKey is LHABTOVEPNCEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-4-19-16(18)15-14(12-8-6-5-7-9-12)13(10(2)17)11(3)20-15/h5-9,14-15H,4H2,1-3H3.
What are the key properties of ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate?
ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate is sourced from PubChem (CID 102486020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).