4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile

C23H18N2O2 — CID 143291825

IUPAC4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
SMILESCc1ccc(OCc2ccc(C#N)cc2)c(OCc2ccc(C#N)cc2)c1
InChIInChI=1S/C23H18N2O2/c1-17-2-11-22(26-15-20-7-3-18(13-24)4-8-20)23(12-17)27-16-21-9-5-19(14-25)6-10-21/h2-12H,15-16H2,1H3
InChIKeyHPCQUIYUZSZBMI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.90
Rot. Bonds6

About 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile

4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile (PubChem CID 143291825) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
PubChem CID143291825
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
SMILESCc1ccc(OCc2ccc(C#N)cc2)c(OCc2ccc(C#N)cc2)c1
InChIInChI=1S/C23H18N2O2/c1-17-2-11-22(26-15-20-7-3-18(13-24)4-8-20)23(12-17)27-16-21-9-5-19(14-25)6-10-21/h2-12H,15-16H2,1H3
InChIKeyHPCQUIYUZSZBMI-UHFFFAOYSA-N
XLogP4.90
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromo-4-methylphenoxy)methyl]benzonitrile
CID 22688388
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(5-methyl-2-nitrophenoxy)methyl]benzonitrile
CID 41459059
4-[[4-methyl-2-[1-(methylamino)ethyl]phenoxy]methyl]benzonitrile
CID 60889996
4-[(4-tert-butyl-2-methylphenoxy)methyl]benzonitrile
CID 43237648
4-[(4-bromophenyl)methoxy]-3-ethoxybenzonitrile
CID 22681511
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
3-ethoxy-4-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 110005223
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-[(4-acetyl-2-methylphenoxy)methyl]benzonitrile
CID 115610418
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile (CID 143291825) is 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile is Cc1ccc(OCc2ccc(C#N)cc2)c(OCc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile?
The InChIKey is HPCQUIYUZSZBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-17-2-11-22(26-15-20-7-3-18(13-24)4-8-20)23(12-17)27-16-21-9-5-19(14-25)6-10-21/h2-12H,15-16H2,1H3.
What are the key properties of 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile?
4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile is sourced from PubChem (CID 143291825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).