4-[4-(cyclopentylmethoxy)phenyl]benzonitrile

C19H19NO — CID 10039177

IUPAC4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCC3CCCC3)cc2)cc1
InChIInChI=1S/C19H19NO/c20-13-15-5-7-17(8-6-15)18-9-11-19(12-10-18)21-14-16-3-1-2-4-16/h5-12,16H,1-4,14H2
InChIKeyIGKXTUZIBHZHAO-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.79
Rot. Bonds4

About 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile

4-[4-(cyclopentylmethoxy)phenyl]benzonitrile (PubChem CID 10039177) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
PubChem CID10039177
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCC3CCCC3)cc2)cc1
InChIInChI=1S/C19H19NO/c20-13-15-5-7-17(8-6-15)18-9-11-19(12-10-18)21-14-16-3-1-2-4-16/h5-12,16H,1-4,14H2
InChIKeyIGKXTUZIBHZHAO-UHFFFAOYSA-N
XLogP4.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[3-(cyclohexylmethoxy)propoxy]benzonitrile
CID 62381881
4-[4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]benzonitrile
CID 16556457
5-(cyclohexylmethoxy)pyridine-2-carbonitrile
CID 115487982
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
4-[4-(bromomethoxy)phenyl]benzonitrile
CID 174243414
cyclohexylmethoxybenzene
CID 14399287
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
2-bromo-4-(cyclopentylmethoxy)benzonitrile
CID 107277070
4-(cyclobutylmethoxy)benzenethiol
CID 97179596

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile?
The IUPAC name of 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile (CID 10039177) is 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OCC3CCCC3)cc2)cc1.
What is the InChIKey of 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile?
The InChIKey is IGKXTUZIBHZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c20-13-15-5-7-17(8-6-15)18-9-11-19(12-10-18)21-14-16-3-1-2-4-16/h5-12,16H,1-4,14H2.
What are the key properties of 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile?
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile has a molecular weight of 277.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylmethoxy)phenyl]benzonitrile is sourced from PubChem (CID 10039177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).