2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile

C19H21NO — CID 82137390

IUPAC2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile
SMILESCc1ccc(OCCCC(C)(C#N)c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-16-9-11-18(12-10-16)21-14-6-13-19(2,15-20)17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3
InChIKeyREYUJZUTMHNKAL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.64
Rot. Bonds6

About 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile

2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile (PubChem CID 82137390) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile
PubChem CID82137390
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile
SMILESCc1ccc(OCCCC(C)(C#N)c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-16-9-11-18(12-10-16)21-14-6-13-19(2,15-20)17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3
InChIKeyREYUJZUTMHNKAL-UHFFFAOYSA-N
XLogP4.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(4-methylphenoxy)-2-phenylhexanenitrile
CID 82137397
5-(2,5-dimethylphenoxy)-2-methyl-2-phenylpentanenitrile
CID 82137406
5-(2,3-dimethylphenoxy)-2-methyl-2-phenylpentanenitrile
CID 82137408
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
CID 82138838
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
CID 20727020
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2,2-diethyl-5-phenoxypentanenitrile
CID 82138632
(3-cyano-3-phenylbutyl)boronic acid
CID 154150326
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
3-[3-(4-methylphenoxy)propylsulfonyl]propanenitrile
CID 82181574
5-(3-tert-butylphenoxy)-2,2-dimethylpentanenitrile
CID 65257601
2,2-dimethyl-5-(3-methylphenoxy)pentanenitrile
CID 65255390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile?
The IUPAC name of 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile (CID 82137390) is 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile.
What is the SMILES notation for 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile?
The canonical SMILES for 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile is Cc1ccc(OCCCC(C)(C#N)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile?
The InChIKey is REYUJZUTMHNKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-16-9-11-18(12-10-16)21-14-6-13-19(2,15-20)17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile?
2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile has a molecular weight of 279.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile is sourced from PubChem (CID 82137390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).