ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate

C16H18O5 — CID 154723951

IUPACethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate
SMILESCCOC(=O)CC[C@H]1OC(=O)C(OC)=C1c1ccccc1
InChIInChI=1S/C16H18O5/c1-3-20-13(17)10-9-12-14(11-7-5-4-6-8-11)15(19-2)16(18)21-12/h4-8,12H,3,9-10H2,1-2H3/t12-/m1/s1
InChIKeyODHJHYPKZNTPCS-GFCCVEGCSA-N
MW290.32 g/mol
LogP2.31
Rot. Bonds6

About ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate

ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate (PubChem CID 154723951) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate
PubChem CID154723951
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate
SMILESCCOC(=O)CC[C@H]1OC(=O)C(OC)=C1c1ccccc1
InChIInChI=1S/C16H18O5/c1-3-20-13(17)10-9-12-14(11-7-5-4-6-8-11)15(19-2)16(18)21-12/h4-8,12H,3,9-10H2,1-2H3/t12-/m1/s1
InChIKeyODHJHYPKZNTPCS-GFCCVEGCSA-N
XLogP2.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate 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 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 3-(3-oxofuran-2-yl)propanoate
CID 174454002
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
ethyl 2-butyl-5-oxo-4-phenyl-2H-furan-3-carboxylate
CID 86084941
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propanoate
CID 53306704
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate?
The IUPAC name of ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate (CID 154723951) is ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate is CCOC(=O)CC[C@H]1OC(=O)C(OC)=C1c1ccccc1.
What is the InChIKey of ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate?
The InChIKey is ODHJHYPKZNTPCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-20-13(17)10-9-12-14(11-7-5-4-6-8-11)15(19-2)16(18)21-12/h4-8,12H,3,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate?
ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate has a molecular weight of 290.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate is sourced from PubChem (CID 154723951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).