3-(5-phenylfuran-2-yl)propanoic acid

C13H12O3 — CID 593970

IUPAC3-(5-phenylfuran-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,15)
InChIKeyJKBUDDSGMWGQDN-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.96
Rot. Bonds4

About 3-(5-phenylfuran-2-yl)propanoic acid

3-(5-phenylfuran-2-yl)propanoic acid (PubChem CID 593970) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)propanoic acid
PubChem CID593970
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(5-phenylfuran-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,15)
InChIKeyJKBUDDSGMWGQDN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)propanoic acid?
The IUPAC name of 3-(5-phenylfuran-2-yl)propanoic acid (CID 593970) is 3-(5-phenylfuran-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)propanoic acid?
The canonical SMILES for 3-(5-phenylfuran-2-yl)propanoic acid is O=C(O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)propanoic acid?
The InChIKey is JKBUDDSGMWGQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,15).
What are the key properties of 3-(5-phenylfuran-2-yl)propanoic acid?
3-(5-phenylfuran-2-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)propanoic acid is sourced from PubChem (CID 593970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).