(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid

C15H11Cl3O4 — CID 124566804

IUPAC(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
SMILESC[C@@H](Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H11Cl3O4/c1-8(15(19)20)21-14-7-10(17)3-5-13(14)22-12-4-2-9(16)6-11(12)18/h2-8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyIQMQCXUUGKFKPR-MRVPVSSYSA-N
MW361.61 g/mol
LogP5.29
Rot. Bonds5

About (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid

(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid (PubChem CID 124566804) has the molecular formula C15H11Cl3O4 and a molecular weight of 361.61 g/mol. Its IUPAC name is (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
PubChem CID124566804
Molecular FormulaC15H11Cl3O4
Molecular Weight361.61 g/mol
Exact Mass359.97
IUPAC Name(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
SMILESC[C@@H](Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H11Cl3O4/c1-8(15(19)20)21-14-7-10(17)3-5-13(14)22-12-4-2-9(16)6-11(12)18/h2-8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyIQMQCXUUGKFKPR-MRVPVSSYSA-N
XLogP5.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)propanoic acid
CID 67631738
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid (CID 124566804) is (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid is C[C@@H](Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid?
The InChIKey is IQMQCXUUGKFKPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11Cl3O4/c1-8(15(19)20)21-14-7-10(17)3-5-13(14)22-12-4-2-9(16)6-11(12)18/h2-8H,1H3,(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid?
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid has a molecular weight of 361.61 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid is sourced from PubChem (CID 124566804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).