(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid

C9H7Cl3O3 — CID 688652

IUPAC(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
SMILESC[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)/t4-/m1/s1
InChIKeyZLSWBLPERHFHIS-SCSAIBSYSA-N
MW269.51 g/mol
LogP3.50
Rot. Bonds3

About (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid

(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid (PubChem CID 688652) has the molecular formula C9H7Cl3O3 and a molecular weight of 269.51 g/mol. Its IUPAC name is (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
PubChem CID688652
Molecular FormulaC9H7Cl3O3
Molecular Weight269.51 g/mol
Exact Mass267.95
IUPAC Name(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
SMILESC[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)/t4-/m1/s1
InChIKeyZLSWBLPERHFHIS-SCSAIBSYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
2-[2-(2,4,5-trichlorophenoxy)propanoyl]propanedioic acid
CID 151299792
2-(2,4,5-trichlorophenoxy)propanoyl chloride
CID 71363977
3-methyl-2-(2,4,5-trichlorophenoxy)butanoic acid
CID 43079287
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
CID 67926622
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
(Z)-octadec-9-en-1-amine;2-(2,4,5-trichlorophenoxy)propanoic acid
CID 138394081
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid?
The IUPAC name of (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid (CID 688652) is (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid is C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid?
The InChIKey is ZLSWBLPERHFHIS-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)/t4-/m1/s1.
What are the key properties of (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid?
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid has a molecular weight of 269.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid is sourced from PubChem (CID 688652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).