2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile

C24H23NO2 — CID 20994468

IUPAC2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile
SMILESCC(C)(c1ccccc1)c1ccc(OCCOc2ccccc2C#N)cc1
InChIInChI=1S/C24H23NO2/c1-24(2,20-9-4-3-5-10-20)21-12-14-22(15-13-21)26-16-17-27-23-11-7-6-8-19(23)18-25/h3-15H,16-17H2,1-2H3
InChIKeyACTRPNQWIDTJBM-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.34
Rot. Bonds7

About 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile

2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile (PubChem CID 20994468) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile
PubChem CID20994468
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile
SMILESCC(C)(c1ccccc1)c1ccc(OCCOc2ccccc2C#N)cc1
InChIInChI=1S/C24H23NO2/c1-24(2,20-9-4-3-5-10-20)21-12-14-22(15-13-21)26-16-17-27-23-11-7-6-8-19(23)18-25/h3-15H,16-17H2,1-2H3
InChIKeyACTRPNQWIDTJBM-UHFFFAOYSA-N
XLogP5.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.34
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

2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
2-[3-(4-ethylphenoxy)propoxy]benzonitrile
CID 43289370
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-(3,3-difluorobutoxy)benzonitrile
CID 84678204
2-(3-fluoro-3-methylbutoxy)benzonitrile
CID 84675148
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289686
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22687113

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile (CID 20994468) is 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile is CC(C)(c1ccccc1)c1ccc(OCCOc2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile?
The InChIKey is ACTRPNQWIDTJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-24(2,20-9-4-3-5-10-20)21-12-14-22(15-13-21)26-16-17-27-23-11-7-6-8-19(23)18-25/h3-15H,16-17H2,1-2H3.
What are the key properties of 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile?
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile has a molecular weight of 357.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile is sourced from PubChem (CID 20994468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).