CAS 52364-71-3|4′-(戊氧基)-4-联苯甲腈|4′-(Pentyloxy)-4-biphenylcarbonitrile|4-[4-(pentyloxy)phenyl]benzonitrile|4-[4-(pentyloxy)phenyl]benzonitrile|4-(4-n-Pentyloxyphenyl)benzonitrile|4-Cyano-4'-n...

General Information

Structure

Molecular Formula

C₁₈H₁₉NO

Molecular Mass

265.34956

Exact Mass

265.14666423

Charge

InChI

InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3

InChIKey

RDISTOCQRJJICR-UHFFFAOYSA-N

Canonic Smiles

CCCCCOc1ccc(cc1)c1ccc(cc1)C#N

Isomeric Smiles

O(c1ccc(cc1)c1ccc(cc1)C#N)CCCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.0873637

LogD (pH = 7.4)

5.0873637

Log P

5.0873637

Molar Refractivity

81.8536

Polarizability

33.091873

Polar Surface Area

33.02

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

4′-(Pentyloxy)-4-biphenylcarbonitrile4′-(戊氧基)-4-联苯甲腈4-n-Pentyloxy-4-phenylcarbonitrile4-氰基-4'-戊氧基联苯4-(4-n-Pentyloxyphenyl)benzonitrile4-Cyano-4'-n-pentyloxybiphenyl4'-Pentyloxy-[1,1'-biphenyl]-4-carbonitrile4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile

IUPAC name

4-[4-(pentyloxy)phenyl]benzonitrile

IUPAC Traditional name

4-[4-(pentyloxy)phenyl]benzonitrile

Names and Identifiers

Registration numbers

CAS Number

52364-71-3

MDL Number

MFCD00074879

EC Number

257-875-9