2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile

C12H15NO — CID 29001545

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
SMILESCC(C)(C)OCc1ccccc1C#N
InChIInChI=1S/C12H15NO/c1-12(2,3)14-9-11-7-5-4-6-10(11)8-13/h4-7H,9H2,1-3H3
InChIKeyBRWYOBTXWVGFBU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.87
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile

2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile (PubChem CID 29001545) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
PubChem CID29001545
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
SMILESCC(C)(C)OCc1ccccc1C#N
InChIInChI=1S/C12H15NO/c1-12(2,3)14-9-11-7-5-4-6-10(11)8-13/h4-7H,9H2,1-3H3
InChIKeyBRWYOBTXWVGFBU-UHFFFAOYSA-N
XLogP2.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyanophenyl)methyl methanesulfonate
CID 107936439
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-(2-ethoxyethyl)benzonitrile
CID 134604790
(2-cyanophenyl)methyl carbamate
CID 66644204
tert-butyl 2-[(2-cyanophenyl)methylsulfonyl]acetate
CID 116688160
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
2-[2-(tert-butylamino)ethyl]benzonitrile
CID 107937025
tert-butyl 3-[2-(2-cyanophenyl)ethoxy]propanoate
CID 175204212
2-(iodomethyl)benzonitrile
CID 64788563
[2-[(2-cyanophenyl)methoxy]phenyl]boronic acid
CID 43145286
2-[[(E)-3-phenylprop-2-enoxy]methyl]benzonitrile
CID 43128816

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile (CID 29001545) is 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile is CC(C)(C)OCc1ccccc1C#N.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile?
The InChIKey is BRWYOBTXWVGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,3)14-9-11-7-5-4-6-10(11)8-13/h4-7H,9H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile?
2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 29001545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).