3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile

C14H19NO2 — CID 79129241

IUPAC3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
SMILESCOc1ccc(CC(C)(O)C(C)(C)C#N)cc1
InChIInChI=1S/C14H19NO2/c1-13(2,10-15)14(3,16)9-11-5-7-12(17-4)8-6-11/h5-8,16H,9H2,1-4H3
InChIKeyMUMIOUZIVYNZNA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds4

About 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile

3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile (PubChem CID 79129241) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile.

Molecular Properties

Compound Name3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
PubChem CID79129241
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
SMILESCOc1ccc(CC(C)(O)C(C)(C)C#N)cc1
InChIInChI=1S/C14H19NO2/c1-13(2,10-15)14(3,16)9-11-5-7-12(17-4)8-6-11/h5-8,16H,9H2,1-4H3
InChIKeyMUMIOUZIVYNZNA-UHFFFAOYSA-N
XLogP2.54
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile
CID 79130076
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
3-(4-methoxyphenyl)-2-methyl-2-(prop-2-enylamino)propanenitrile
CID 55167183
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile?
The IUPAC name of 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile (CID 79129241) is 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile.
What is the SMILES notation for 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile?
The canonical SMILES for 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile is COc1ccc(CC(C)(O)C(C)(C)C#N)cc1.
What is the InChIKey of 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile?
The InChIKey is MUMIOUZIVYNZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2,10-15)14(3,16)9-11-5-7-12(17-4)8-6-11/h5-8,16H,9H2,1-4H3.
What are the key properties of 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile?
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile has a molecular weight of 233.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile is sourced from PubChem (CID 79129241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).