ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate

C18H20O5 — CID 102293123

IUPACethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(/C=C/c2ccccc2)OC(CC(=O)OC)C1
InChIInChI=1S/C18H20O5/c1-3-22-18(20)15-11-14(12-17(19)21-2)23-16(15)10-9-13-7-5-4-6-8-13/h4-10,14H,3,11-12H2,1-2H3/b10-9+
InChIKeySKFGJTOFYHEWOP-MDZDMXLPSA-N
MW316.35 g/mol
LogP2.87
Rot. Bonds6

About ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate

ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate (PubChem CID 102293123) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate
PubChem CID102293123
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Nameethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(/C=C/c2ccccc2)OC(CC(=O)OC)C1
InChIInChI=1S/C18H20O5/c1-3-22-18(20)15-11-14(12-17(19)21-2)23-16(15)10-9-13-7-5-4-6-8-13/h4-10,14H,3,11-12H2,1-2H3/b10-9+
InChIKeySKFGJTOFYHEWOP-MDZDMXLPSA-N
XLogP2.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate with MolForge

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Related Compounds

ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-2-(2-nitrophenyl)ethenyl]-2,3-dihydrofuran-4-carboxylate
CID 139257400
ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
CID 11043911
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
diethyl benzene-1,2-dicarboxylate;1-(2-phenylethenyl)piperidine
CID 86754086
methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
CID 75361746
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
(2-methoxy-2-oxoethyl) 4-[(E)-2-phenylethenyl]benzoate
CID 50887944
methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate
CID 11043032
ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate
CID 122707288
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370
ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate
CID 101488319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate (CID 102293123) is ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(/C=C/c2ccccc2)OC(CC(=O)OC)C1.
What is the InChIKey of ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate?
The InChIKey is SKFGJTOFYHEWOP-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20O5/c1-3-22-18(20)15-11-14(12-17(19)21-2)23-16(15)10-9-13-7-5-4-6-8-13/h4-10,14H,3,11-12H2,1-2H3/b10-9+.
What are the key properties of ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate?
ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate has a molecular weight of 316.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 102293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).