2-(4-cyano-2,6-dimethylphenoxy)acetic acid

C11H11NO3 — CID 65455986

IUPAC2-(4-cyano-2,6-dimethylphenoxy)acetic acid
SMILESCc1cc(C#N)cc(C)c1OCC(=O)O
InChIInChI=1S/C11H11NO3/c1-7-3-9(5-12)4-8(2)11(7)15-6-10(13)14/h3-4H,6H2,1-2H3,(H,13,14)
InChIKeyCZXOUSRKQBAXMX-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-cyano-2,6-dimethylphenoxy)acetic acid

2-(4-cyano-2,6-dimethylphenoxy)acetic acid (PubChem CID 65455986) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)acetic acid
PubChem CID65455986
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)acetic acid
SMILESCc1cc(C#N)cc(C)c1OCC(=O)O
InChIInChI=1S/C11H11NO3/c1-7-3-9(5-12)4-8(2)11(7)15-6-10(13)14/h3-4H,6H2,1-2H3,(H,13,14)
InChIKeyCZXOUSRKQBAXMX-UHFFFAOYSA-N
XLogP1.64
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-cyano-2,6-dimethylphenoxy)hexanoic acid
CID 65454851
3,5-dimethyl-4-(2-oxo-3-phenylpropoxy)benzonitrile
CID 65470229
2-(2,6-dibromo-4-cyanophenoxy)acetic acid
CID 18317846
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
CID 65471325
methyl 3-(4-cyano-2,6-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79622459
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
methyl 3-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 65454282
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)acetic acid?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)acetic acid (CID 65455986) is 2-(4-cyano-2,6-dimethylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)acetic acid?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)acetic acid is Cc1cc(C#N)cc(C)c1OCC(=O)O.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)acetic acid?
The InChIKey is CZXOUSRKQBAXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-3-9(5-12)4-8(2)11(7)15-6-10(13)14/h3-4H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)acetic acid?
2-(4-cyano-2,6-dimethylphenoxy)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-dimethylphenoxy)acetic acid is sourced from PubChem (CID 65455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).