ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate

C21H17ClO4 — CID 102442578

IUPACethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate
SMILESCCOC(=O)C1(/C=C/c2ccccc2)OC(=O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO4/c1-2-25-20(24)21(13-12-15-6-4-3-5-7-15)18(14-19(23)26-21)16-8-10-17(22)11-9-16/h3-14H,2H2,1H3/b13-12+
InChIKeySRTZERLHIOXXSX-OUKQBFOZSA-N
MW368.82 g/mol
LogP4.30
Rot. Bonds5

About ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate

ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate (PubChem CID 102442578) has the molecular formula C21H17ClO4 and a molecular weight of 368.82 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate
PubChem CID102442578
Molecular FormulaC21H17ClO4
Molecular Weight368.82 g/mol
Exact Mass368.08
IUPAC Nameethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate
SMILESCCOC(=O)C1(/C=C/c2ccccc2)OC(=O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO4/c1-2-25-20(24)21(13-12-15-6-4-3-5-7-15)18(14-19(23)26-21)16-8-10-17(22)11-9-16/h3-14H,2H2,1H3/b13-12+
InChIKeySRTZERLHIOXXSX-OUKQBFOZSA-N
XLogP4.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate with MolForge

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Related Compounds

chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
diethyl 2-(4-chlorophenyl)-6-methyl-4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 5379597
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
methyl (2S)-6-oxo-4-phenyl-2-[(E)-2-phenylethenyl]-3H-pyran-2-carboxylate
CID 138979264
diethyl (4R)-4-(4-chlorophenyl)oxetane-2,2-dicarboxylate
CID 135025934
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
CID 134865085
trans-diethyl (2R,3S)-2-benzoyl-3-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 101491951
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
methyl (2S)-2-(4-methylphenyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135063303
ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
CID 14556276
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate (CID 102442578) is ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate is CCOC(=O)C1(/C=C/c2ccccc2)OC(=O)C=C1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate?
The InChIKey is SRTZERLHIOXXSX-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H17ClO4/c1-2-25-20(24)21(13-12-15-6-4-3-5-7-15)18(14-19(23)26-21)16-8-10-17(22)11-9-16/h3-14H,2H2,1H3/b13-12+.
What are the key properties of ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate?
ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-5-oxo-2-[(E)-2-phenylethenyl]furan-2-carboxylate is sourced from PubChem (CID 102442578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).