(2S)-2-(2,5-dichlorophenoxy)propanoic acid

C9H8Cl2O3 — CID 41097405

IUPAC(2S)-2-(2,5-dichlorophenoxy)propanoic acid
SMILESC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyLDRYOEIGQCIMEK-YFKPBYRVSA-N
MW235.07 g/mol
LogP2.85
Rot. Bonds3

About (2S)-2-(2,5-dichlorophenoxy)propanoic acid

(2S)-2-(2,5-dichlorophenoxy)propanoic acid (PubChem CID 41097405) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2S)-2-(2,5-dichlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,5-dichlorophenoxy)propanoic acid
PubChem CID41097405
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name(2S)-2-(2,5-dichlorophenoxy)propanoic acid
SMILESC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyLDRYOEIGQCIMEK-YFKPBYRVSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dichlorophenoxy)propanoic acid?
The IUPAC name of (2S)-2-(2,5-dichlorophenoxy)propanoic acid (CID 41097405) is (2S)-2-(2,5-dichlorophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2,5-dichlorophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2,5-dichlorophenoxy)propanoic acid is C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-(2,5-dichlorophenoxy)propanoic acid?
The InChIKey is LDRYOEIGQCIMEK-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(2,5-dichlorophenoxy)propanoic acid?
(2S)-2-(2,5-dichlorophenoxy)propanoic acid has a molecular weight of 235.07 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dichlorophenoxy)propanoic acid is sourced from PubChem (CID 41097405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).