4-(4-propylphenoxy)benzonitrile

C16H15NO — CID 20986267

IUPAC4-(4-propylphenoxy)benzonitrile
SMILESCCCc1ccc(Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15NO/c1-2-3-13-4-8-15(9-5-13)18-16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
InChIKeyNOZYEETYLYXQPM-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.30
Rot. Bonds4

About 4-(4-propylphenoxy)benzonitrile

4-(4-propylphenoxy)benzonitrile (PubChem CID 20986267) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-propylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(4-propylphenoxy)benzonitrile
PubChem CID20986267
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-(4-propylphenoxy)benzonitrile
SMILESCCCc1ccc(Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15NO/c1-2-3-13-4-8-15(9-5-13)18-16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
InChIKeyNOZYEETYLYXQPM-UHFFFAOYSA-N
XLogP4.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(4-propylphenoxy)benzonitrile
CID 63513963
3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
[4-(4-cyanophenyl)phenyl] 4-propylbenzoate
CID 46864020
4-(4-benzylphenoxy)benzonitrile
CID 134587761
4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
CID 7670213
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
4-heptylbenzonitrile
CID 575863
4-[2-[4-(4-octoxyphenyl)phenyl]ethyl]benzonitrile
CID 71401201
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
CID 57358257
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenoxy)benzonitrile?
The IUPAC name of 4-(4-propylphenoxy)benzonitrile (CID 20986267) is 4-(4-propylphenoxy)benzonitrile.
What is the SMILES notation for 4-(4-propylphenoxy)benzonitrile?
The canonical SMILES for 4-(4-propylphenoxy)benzonitrile is CCCc1ccc(Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(4-propylphenoxy)benzonitrile?
The InChIKey is NOZYEETYLYXQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-3-13-4-8-15(9-5-13)18-16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3.
What are the key properties of 4-(4-propylphenoxy)benzonitrile?
4-(4-propylphenoxy)benzonitrile has a molecular weight of 237.30 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenoxy)benzonitrile is sourced from PubChem (CID 20986267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).