3-methoxy-2-methyl-3-phenylpropanenitrile

C11H13NO — CID 174515240

IUPAC3-methoxy-2-methyl-3-phenylpropanenitrile
SMILESCOC(c1ccccc1)C(C)C#N
InChIInChI=1S/C11H13NO/c1-9(8-12)11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3
InChIKeyHMKFYMSMISOTAN-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.53
Rot. Bonds3

About 3-methoxy-2-methyl-3-phenylpropanenitrile

3-methoxy-2-methyl-3-phenylpropanenitrile (PubChem CID 174515240) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-methoxy-2-methyl-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-methoxy-2-methyl-3-phenylpropanenitrile
PubChem CID174515240
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-methoxy-2-methyl-3-phenylpropanenitrile
SMILESCOC(c1ccccc1)C(C)C#N
InChIInChI=1S/C11H13NO/c1-9(8-12)11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3
InChIKeyHMKFYMSMISOTAN-UHFFFAOYSA-N
XLogP2.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19049764
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(1R,2S)-1-methoxy-1-phenyl-N-triphenylsilylpropan-2-amine
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ethane;2-phenylpropanenitrile
CID 91366777
1-methoxy-1-phenyl-N-propylpropan-2-amine
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(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
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2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol
CID 7311097
(1R)-1-[(1R,2R)-2-methoxy-1,2-diphenylethoxy]-N,N-dimethylethanamine
CID 139888708
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
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1-cyclopentyl-2-methoxy-2-phenylethanol
CID 116756943

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-3-phenylpropanenitrile?
The IUPAC name of 3-methoxy-2-methyl-3-phenylpropanenitrile (CID 174515240) is 3-methoxy-2-methyl-3-phenylpropanenitrile.
What is the SMILES notation for 3-methoxy-2-methyl-3-phenylpropanenitrile?
The canonical SMILES for 3-methoxy-2-methyl-3-phenylpropanenitrile is COC(c1ccccc1)C(C)C#N.
What is the InChIKey of 3-methoxy-2-methyl-3-phenylpropanenitrile?
The InChIKey is HMKFYMSMISOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(8-12)11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3.
What are the key properties of 3-methoxy-2-methyl-3-phenylpropanenitrile?
3-methoxy-2-methyl-3-phenylpropanenitrile has a molecular weight of 175.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-3-phenylpropanenitrile is sourced from PubChem (CID 174515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).