3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid

C13H11ClO3 — CID 808119

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChIKeyFIXOHABRIXQDMY-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.62
Rot. Bonds4

About 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid

3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid (PubChem CID 808119) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid
PubChem CID808119
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChIKeyFIXOHABRIXQDMY-UHFFFAOYSA-N
XLogP3.62
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid (CID 808119) is 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid?
The InChIKey is FIXOHABRIXQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16).
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid?
3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid has a molecular weight of 250.68 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]propanoic acid is sourced from PubChem (CID 808119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).