(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid

C10H10Cl2O3 — CID 99924303

IUPAC(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl2O3/c1-15-9(10(13)14)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyAJQDTACVMHCUEW-VIFPVBQESA-N
MW249.09 g/mol
LogP2.64
Rot. Bonds4

About (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid

(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid (PubChem CID 99924303) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
PubChem CID99924303
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
SMILESCO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl2O3/c1-15-9(10(13)14)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyAJQDTACVMHCUEW-VIFPVBQESA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic 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

(2S)-3-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanoic acid
CID 100539625
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109635
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
(2R,4S)-5-[5-chloro-2-[(2,4-dichlorophenyl)methyl]phenoxy]-2-methoxy-4-methyl-5-oxopentanoic acid
CID 124822943
(2S)-2-[(2,4-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 67497383
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid?
The IUPAC name of (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid (CID 99924303) is (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid.
What is the SMILES notation for (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid?
The canonical SMILES for (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid is CO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid?
The InChIKey is AJQDTACVMHCUEW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-15-9(10(13)14)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid?
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid has a molecular weight of 249.09 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 99924303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).