2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid

C11H11NO3 — CID 171015929

IUPAC2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(C)c(C#N)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H11NO3/c1-6-3-7(2)9(5-12)8(4-6)10(13)11(14)15/h3-4,10,13H,1-2H3,(H,14,15)
InChIKeyZTUDRAHUXSDGBB-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid

2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid (PubChem CID 171015929) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
PubChem CID171015929
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(C)c(C#N)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H11NO3/c1-6-3-7(2)9(5-12)8(4-6)10(13)11(14)15/h3-4,10,13H,1-2H3,(H,14,15)
InChIKeyZTUDRAHUXSDGBB-UHFFFAOYSA-N
XLogP1.29
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic 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-(2-cyano-3-formyl-5-methylphenyl)-2-hydroxyacetic acid
CID 171017521
2-(4-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 171015674
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
2-(2-bromoacetyl)-4,6-dimethylbenzonitrile
CID 171015930
2-(2-cyano-4-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 171026875
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
3-[3-[carboxy(hydroxy)methyl]-2-cyanophenyl]propanoic acid
CID 135740726
2-(2-fluoro-5-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 131566605
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
2-(2-cyano-6-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 170996317
2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117108576

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid (CID 171015929) is 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid is Cc1cc(C)c(C#N)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid?
The InChIKey is ZTUDRAHUXSDGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-3-7(2)9(5-12)8(4-6)10(13)11(14)15/h3-4,10,13H,1-2H3,(H,14,15).
What are the key properties of 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid?
2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171015929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).