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

C23H21NO2 — CID 21257477

IUPAC2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
SMILESCOc1ccc(COCCc2ccc(-c3ccccc3C#N)cc2)cc1
InChIInChI=1S/C23H21NO2/c1-25-22-12-8-19(9-13-22)17-26-15-14-18-6-10-20(11-7-18)23-5-3-2-4-21(23)16-24/h2-13H,14-15,17H2,1H3
InChIKeyDSCDGZRZEPRJAW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.99
Rot. Bonds7

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

2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile (PubChem CID 21257477) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
PubChem CID21257477
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
SMILESCOc1ccc(COCCc2ccc(-c3ccccc3C#N)cc2)cc1
InChIInChI=1S/C23H21NO2/c1-25-22-12-8-19(9-13-22)17-26-15-14-18-6-10-20(11-7-18)23-5-3-2-4-21(23)16-24/h2-13H,14-15,17H2,1H3
InChIKeyDSCDGZRZEPRJAW-UHFFFAOYSA-N
XLogP4.99
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707
methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate
CID 166316434
2-[4-[(6-methoxyquinolin-1-ium-1-yl)methyl]phenyl]benzonitrile
CID 75493303
2-[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile
CID 24622576
4-(2-phenylethoxymethyl)benzonitrile
CID 43128153
2-[4-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile
CID 30289917
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496
N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 143188435
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
CID 31118216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile (CID 21257477) is 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile is COc1ccc(COCCc2ccc(-c3ccccc3C#N)cc2)cc1.
What is the InChIKey of 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile?
The InChIKey is DSCDGZRZEPRJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-25-22-12-8-19(9-13-22)17-26-15-14-18-6-10-20(11-7-18)23-5-3-2-4-21(23)16-24/h2-13H,14-15,17H2,1H3.
What are the key properties of 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile?
2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile has a molecular weight of 343.43 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile is sourced from PubChem (CID 21257477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).