ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate

C19H18O3 — CID 21447351

IUPACethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate
SMILESCCOC(=O)C(C)c1cc2cccc(-c3ccccc3)c2o1
InChIInChI=1S/C19H18O3/c1-3-21-19(20)13(2)17-12-15-10-7-11-16(18(15)22-17)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKeyGPYYYBQCLFIODN-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.77
Rot. Bonds4

About ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate

ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate (PubChem CID 21447351) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate
PubChem CID21447351
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate
SMILESCCOC(=O)C(C)c1cc2cccc(-c3ccccc3)c2o1
InChIInChI=1S/C19H18O3/c1-3-21-19(20)13(2)17-12-15-10-7-11-16(18(15)22-17)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKeyGPYYYBQCLFIODN-UHFFFAOYSA-N
XLogP4.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(7-phenyl-1-benzofuran-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

2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
CID 65426129
1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol
CID 160723042
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
ethyl (2S)-2-phenylpropanoate
CID 7204861
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
methyl 2-(7-methyl-1-benzofuran-2-yl)hexanoate
CID 114732671
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate?
The IUPAC name of ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate (CID 21447351) is ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate?
The canonical SMILES for ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate is CCOC(=O)C(C)c1cc2cccc(-c3ccccc3)c2o1.
What is the InChIKey of ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate?
The InChIKey is GPYYYBQCLFIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-21-19(20)13(2)17-12-15-10-7-11-16(18(15)22-17)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate?
ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate has a molecular weight of 294.35 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-phenyl-1-benzofuran-2-yl)propanoate is sourced from PubChem (CID 21447351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).