(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate

C16H16O4 — CID 55322975

IUPAC(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate
SMILESCC(OC(=O)CCc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C16H16O4/c1-12(16(18)13-6-3-2-4-7-13)20-15(17)10-9-14-8-5-11-19-14/h2-8,11-12H,9-10H2,1H3
InChIKeyAYSGTDGMHNBKIT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds6

About (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate

(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate (PubChem CID 55322975) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate
PubChem CID55322975
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate
SMILESCC(OC(=O)CCc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C16H16O4/c1-12(16(18)13-6-3-2-4-7-13)20-15(17)10-9-14-8-5-11-19-14/h2-8,11-12H,9-10H2,1H3
InChIKeyAYSGTDGMHNBKIT-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-oxo-1-phenylpropan-2-yl) 3-(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

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate (CID 55322975) is (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate is CC(OC(=O)CCc1ccco1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate?
The InChIKey is AYSGTDGMHNBKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-12(16(18)13-6-3-2-4-7-13)20-15(17)10-9-14-8-5-11-19-14/h2-8,11-12H,9-10H2,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate?
(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate has a molecular weight of 272.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate is sourced from PubChem (CID 55322975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).