4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile

C22H19NO — CID 57057404

IUPAC4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
SMILESCOc1ccccc1-c1ccc(CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H19NO/c1-24-22-5-3-2-4-21(22)20-14-12-18(13-15-20)7-6-17-8-10-19(16-23)11-9-17/h2-5,8-15H,6-7H2,1H3
InChIKeyGXYWWHBHWUDSAN-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.02
Rot. Bonds5

About 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile

4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile (PubChem CID 57057404) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
PubChem CID57057404
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
SMILESCOc1ccccc1-c1ccc(CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H19NO/c1-24-22-5-3-2-4-21(22)20-14-12-18(13-15-20)7-6-17-8-10-19(16-23)11-9-17/h2-5,8-15H,6-7H2,1H3
InChIKeyGXYWWHBHWUDSAN-UHFFFAOYSA-N
XLogP5.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
(2-methoxyphenyl) 3-(4-cyanophenyl)propanoate
CID 41484194
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
4-[2-[(4-methoxyphenyl)methylamino]phenyl]benzonitrile
CID 122184594
5-[4-(2-methoxyphenyl)phenyl]-3-methylpentan-1-amine
CID 82542712
4-methoxy-3-[4-[(methylsulfonimidoyl)methyl]phenyl]benzonitrile
CID 167883574
4-[2-(4-aminobutoxy)phenyl]benzonitrile
CID 150280795
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
4-[[5-(2-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 16509567
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
4-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 37086464

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile (CID 57057404) is 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile is COc1ccccc1-c1ccc(CCc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile?
The InChIKey is GXYWWHBHWUDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-24-22-5-3-2-4-21(22)20-14-12-18(13-15-20)7-6-17-8-10-19(16-23)11-9-17/h2-5,8-15H,6-7H2,1H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile?
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile has a molecular weight of 313.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile is sourced from PubChem (CID 57057404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).