2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid

C15H12Cl2O3 — CID 44589804

IUPAC2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-11-6-7-13(12(17)9-11)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19)
InChIKeyFCAHEMRHGVZFQZ-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.07
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid

2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid (PubChem CID 44589804) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid
PubChem CID44589804
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-11-6-7-13(12(17)9-11)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19)
InChIKeyFCAHEMRHGVZFQZ-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid?
The IUPAC name of 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid (CID 44589804) is 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid?
The InChIKey is FCAHEMRHGVZFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-11-6-7-13(12(17)9-11)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid?
2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid has a molecular weight of 311.16 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-3-phenylpropanoic acid is sourced from PubChem (CID 44589804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).