2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile

C21H19NO — CID 82138838

IUPAC2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
SMILESCC(C#N)(CCOc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO/c1-21(16-22,19-9-3-2-4-10-19)13-14-23-20-12-11-17-7-5-6-8-18(17)15-20/h2-12,15H,13-14H2,1H3
InChIKeyNVSHPRIKSUIJCQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.09
Rot. Bonds5

About 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile

2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile (PubChem CID 82138838) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
PubChem CID82138838
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
SMILESCC(C#N)(CCOc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO/c1-21(16-22,19-9-3-2-4-10-19)13-14-23-20-12-11-17-7-5-6-8-18(17)15-20/h2-12,15H,13-14H2,1H3
InChIKeyNVSHPRIKSUIJCQ-UHFFFAOYSA-N
XLogP5.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile
CID 82137390
2-methyl-6-(4-methylphenoxy)-2-phenylhexanenitrile
CID 82137397
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-4-phenoxybutanenitrile
CID 59393292
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 82138622
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
CID 20727020
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
(3-cyano-3-phenylbutyl)boronic acid
CID 154150326
2-methyl-2-phenyloctanenitrile
CID 161194132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile?
The IUPAC name of 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile (CID 82138838) is 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile.
What is the SMILES notation for 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile?
The canonical SMILES for 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile is CC(C#N)(CCOc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile?
The InChIKey is NVSHPRIKSUIJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(16-22,19-9-3-2-4-10-19)13-14-23-20-12-11-17-7-5-6-8-18(17)15-20/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile?
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile has a molecular weight of 301.39 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile is sourced from PubChem (CID 82138838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).