3-(2,4-dichlorophenyl)propanoic acid

C9H8Cl2O2 — CID 2740915

IUPAC3-(2,4-dichlorophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKeyHLNPVFSCAMKIOD-UHFFFAOYSA-N
MW219.07 g/mol
LogP3.01
Rot. Bonds3

About 3-(2,4-dichlorophenyl)propanoic acid

3-(2,4-dichlorophenyl)propanoic acid (PubChem CID 2740915) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)propanoic acid
PubChem CID2740915
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name3-(2,4-dichlorophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKeyHLNPVFSCAMKIOD-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)propanoic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)propanoic acid (CID 2740915) is 3-(2,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)propanoic acid is O=C(O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)propanoic acid?
The InChIKey is HLNPVFSCAMKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of 3-(2,4-dichlorophenyl)propanoic acid?
3-(2,4-dichlorophenyl)propanoic acid has a molecular weight of 219.07 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 2740915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).