2-[3-(furan-2-carbonyl)phenyl]propanoic acid

C14H12O4 — CID 3060060

IUPAC2-[3-(furan-2-carbonyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C14H12O4/c1-9(14(16)17)10-4-2-5-11(8-10)13(15)12-6-3-7-18-12/h2-9H,1H3,(H,16,17)
InChIKeyIQUJSERCOKJJHL-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.70
Rot. Bonds4

About 2-[3-(furan-2-carbonyl)phenyl]propanoic acid

2-[3-(furan-2-carbonyl)phenyl]propanoic acid (PubChem CID 3060060) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)phenyl]propanoic acid
PubChem CID3060060
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-[3-(furan-2-carbonyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C14H12O4/c1-9(14(16)17)10-4-2-5-11(8-10)13(15)12-6-3-7-18-12/h2-9H,1H3,(H,16,17)
InChIKeyIQUJSERCOKJJHL-UHFFFAOYSA-N
XLogP2.70
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(furan-2-carbonyl)phenyl]propanoic acid (CID 3060060) is 2-[3-(furan-2-carbonyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(furan-2-carbonyl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(C(=O)c2ccco2)c1.
What is the InChIKey of 2-[3-(furan-2-carbonyl)phenyl]propanoic acid?
The InChIKey is IQUJSERCOKJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-9(14(16)17)10-4-2-5-11(8-10)13(15)12-6-3-7-18-12/h2-9H,1H3,(H,16,17).
What are the key properties of 2-[3-(furan-2-carbonyl)phenyl]propanoic acid?
2-[3-(furan-2-carbonyl)phenyl]propanoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)phenyl]propanoic acid is sourced from PubChem (CID 3060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).