3-(furan-2-yl)-3-phenylpropanoic acid

C13H12O3 — CID 2771878

IUPAC3-(furan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccco1
InChIInChI=1S/C13H12O3/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15)
InChIKeySURWKZCXLRGYFM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.89
Rot. Bonds4

About 3-(furan-2-yl)-3-phenylpropanoic acid

3-(furan-2-yl)-3-phenylpropanoic acid (PubChem CID 2771878) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-phenylpropanoic acid
PubChem CID2771878
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(furan-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccco1
InChIInChI=1S/C13H12O3/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15)
InChIKeySURWKZCXLRGYFM-UHFFFAOYSA-N
XLogP2.89
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(furan-2-yl)-3-phenylpropanoic acid 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 3-(furan-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-phenylpropanoic acid (CID 2771878) is 3-(furan-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-phenylpropanoic acid?
The InChIKey is SURWKZCXLRGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15).
What are the key properties of 3-(furan-2-yl)-3-phenylpropanoic acid?
3-(furan-2-yl)-3-phenylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 2771878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).