3-(2,3-dimethylphenoxy)-2-methylpropanenitrile

C12H15NO — CID 43367428

IUPAC3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
SMILESCc1cccc(OCC(C)C#N)c1C
InChIInChI=1S/C12H15NO/c1-9(7-13)8-14-12-6-4-5-10(2)11(12)3/h4-6,9H,8H2,1-3H3
InChIKeyMEBQNCMSDSSPKP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.84
Rot. Bonds3

About 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile

3-(2,3-dimethylphenoxy)-2-methylpropanenitrile (PubChem CID 43367428) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
PubChem CID43367428
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
SMILESCc1cccc(OCC(C)C#N)c1C
InChIInChI=1S/C12H15NO/c1-9(7-13)8-14-12-6-4-5-10(2)11(12)3/h4-6,9H,8H2,1-3H3
InChIKeyMEBQNCMSDSSPKP-UHFFFAOYSA-N
XLogP2.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
4-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027852
3-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64804810
3-(4-tert-butyl-2-methylphenoxy)-2-methylpropanenitrile
CID 43367500
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
3-(2,6-dibromophenoxy)-2-methylpropanenitrile
CID 43367465
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-2,3-dimethylbenzene
CID 65014456
1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
CID 142488537
2-[(2,3-dimethylphenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012531
(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164625864
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile?
The IUPAC name of 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile (CID 43367428) is 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile is Cc1cccc(OCC(C)C#N)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile?
The InChIKey is MEBQNCMSDSSPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(7-13)8-14-12-6-4-5-10(2)11(12)3/h4-6,9H,8H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile?
3-(2,3-dimethylphenoxy)-2-methylpropanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-2-methylpropanenitrile is sourced from PubChem (CID 43367428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).