(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid

C10H10Cl2O2 — CID 95001565

IUPAC(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
SMILESC[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C10H10Cl2O2/c1-6(10(13)14)2-7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyREOQUNARKTYCEN-LURJTMIESA-N
MW233.09 g/mol
LogP3.26
Rot. Bonds3

About (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid

(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid (PubChem CID 95001565) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
PubChem CID95001565
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
SMILESC[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C10H10Cl2O2/c1-6(10(13)14)2-7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyREOQUNARKTYCEN-LURJTMIESA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic 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

(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
3-(4-chloro-3-hydroxy-5-methoxyphenyl)-2-methylpropanoic acid
CID 84802661
(2S)-3-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 146013512
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
CID 83745272
2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
CID 160717719
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid (CID 95001565) is (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid is C[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid?
The InChIKey is REOQUNARKTYCEN-LURJTMIESA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6(10(13)14)2-7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid?
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid has a molecular weight of 233.09 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 95001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).