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

C13H11ClO4 — CID 28814865

IUPAC3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(Oc2ccccc2Cl)o1
InChIInChI=1S/C13H11ClO4/c14-10-3-1-2-4-11(10)18-13-8-6-9(17-13)5-7-12(15)16/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyFEMBSOPURBHXKS-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.74
Rot. Bonds5

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

3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid (PubChem CID 28814865) has the molecular formula C13H11ClO4 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid
PubChem CID28814865
Molecular FormulaC13H11ClO4
Molecular Weight266.68 g/mol
Exact Mass266.03
IUPAC Name3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(Oc2ccccc2Cl)o1
InChIInChI=1S/C13H11ClO4/c14-10-3-1-2-4-11(10)18-13-8-6-9(17-13)5-7-12(15)16/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyFEMBSOPURBHXKS-UHFFFAOYSA-N
XLogP3.74
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
3-(5-sulfanylfuran-2-yl)propanoic acid
CID 119087453
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
CID 91938782
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
ethane;3-(5-phenacylfuran-2-yl)propanoic acid
CID 143696693
4-(5-formyloxyfuran-2-yl)butanoic acid
CID 121288556
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
CID 3244890
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid (CID 28814865) is 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid is O=C(O)CCc1ccc(Oc2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid?
The InChIKey is FEMBSOPURBHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4/c14-10-3-1-2-4-11(10)18-13-8-6-9(17-13)5-7-12(15)16/h1-4,6,8H,5,7H2,(H,15,16).
What are the key properties of 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid?
3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid has a molecular weight of 266.68 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid is sourced from PubChem (CID 28814865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).