ethyl 3-[4-(furan-2-yl)phenyl]propanoate

C15H16O3 — CID 168526212

IUPACethyl 3-[4-(furan-2-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C15H16O3/c1-2-17-15(16)10-7-12-5-8-13(9-6-12)14-4-3-11-18-14/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyXVMOONSTJGHFMF-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.44
Rot. Bonds5

About ethyl 3-[4-(furan-2-yl)phenyl]propanoate

ethyl 3-[4-(furan-2-yl)phenyl]propanoate (PubChem CID 168526212) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 3-[4-(furan-2-yl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(furan-2-yl)phenyl]propanoate
PubChem CID168526212
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethyl 3-[4-(furan-2-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C15H16O3/c1-2-17-15(16)10-7-12-5-8-13(9-6-12)14-4-3-11-18-14/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyXVMOONSTJGHFMF-UHFFFAOYSA-N
XLogP3.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[4-(furan-2-yl)phenyl]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 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate
CID 101189000
2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
CID 66591311
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914
ethyl 3-(4-isocyanophenyl)propanoate
CID 88530611
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 3-(4-ethylsulfonylphenyl)propanoate
CID 71283935
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(furan-2-yl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(furan-2-yl)phenyl]propanoate (CID 168526212) is ethyl 3-[4-(furan-2-yl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(furan-2-yl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(furan-2-yl)phenyl]propanoate is CCOC(=O)CCc1ccc(-c2ccco2)cc1.
What is the InChIKey of ethyl 3-[4-(furan-2-yl)phenyl]propanoate?
The InChIKey is XVMOONSTJGHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-17-15(16)10-7-12-5-8-13(9-6-12)14-4-3-11-18-14/h3-6,8-9,11H,2,7,10H2,1H3.
What are the key properties of ethyl 3-[4-(furan-2-yl)phenyl]propanoate?
ethyl 3-[4-(furan-2-yl)phenyl]propanoate has a molecular weight of 244.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(furan-2-yl)phenyl]propanoate is sourced from PubChem (CID 168526212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).