(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid

C9H8BrClO3 — CID 138684246

IUPAC(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(Cl)c(Br)c1)C(=O)O
InChIInChI=1S/C9H8BrClO3/c1-5(9(12)13)14-6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyJEOAIQYJKBUTEI-YFKPBYRVSA-N
MW279.52 g/mol
LogP2.95
Rot. Bonds3

About (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid

(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid (PubChem CID 138684246) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
PubChem CID138684246
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(Cl)c(Br)c1)C(=O)O
InChIInChI=1S/C9H8BrClO3/c1-5(9(12)13)14-6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyJEOAIQYJKBUTEI-YFKPBYRVSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3-bromo-4-chlorophenoxy)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-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
3-(4-bromo-3-chlorophenoxy)butan-2-one
CID 130631255
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
CID 71391068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid?
The IUPAC name of (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid (CID 138684246) is (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid is C[C@H](Oc1ccc(Cl)c(Br)c1)C(=O)O.
What is the InChIKey of (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid?
The InChIKey is JEOAIQYJKBUTEI-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-5(9(12)13)14-6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid?
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid has a molecular weight of 279.52 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid is sourced from PubChem (CID 138684246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).