2-(cycloheptyloxymethyl)benzonitrile

C15H19NO — CID 61069550

IUPAC2-(cycloheptyloxymethyl)benzonitrile
SMILESN#Cc1ccccc1COC1CCCCCC1
InChIInChI=1S/C15H19NO/c16-11-13-7-5-6-8-14(13)12-17-15-9-3-1-2-4-10-15/h5-8,15H,1-4,9-10,12H2
InChIKeyQBCNRJCQTAIHFH-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.80
Rot. Bonds3

About 2-(cycloheptyloxymethyl)benzonitrile

2-(cycloheptyloxymethyl)benzonitrile (PubChem CID 61069550) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)benzonitrile.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)benzonitrile
PubChem CID61069550
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(cycloheptyloxymethyl)benzonitrile
SMILESN#Cc1ccccc1COC1CCCCCC1
InChIInChI=1S/C15H19NO/c16-11-13-7-5-6-8-14(13)12-17-15-9-3-1-2-4-10-15/h5-8,15H,1-4,9-10,12H2
InChIKeyQBCNRJCQTAIHFH-UHFFFAOYSA-N
XLogP3.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969756
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
2-amino-6-(cyclopentyloxymethyl)benzonitrile
CID 82013530
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
CID 60896826
1-[[2-(cyclohexyloxymethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384880
(2-cyanophenyl)methyl methanesulfonate
CID 107936439
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
CID 126674892
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)benzonitrile?
The IUPAC name of 2-(cycloheptyloxymethyl)benzonitrile (CID 61069550) is 2-(cycloheptyloxymethyl)benzonitrile.
What is the SMILES notation for 2-(cycloheptyloxymethyl)benzonitrile?
The canonical SMILES for 2-(cycloheptyloxymethyl)benzonitrile is N#Cc1ccccc1COC1CCCCCC1.
What is the InChIKey of 2-(cycloheptyloxymethyl)benzonitrile?
The InChIKey is QBCNRJCQTAIHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-11-13-7-5-6-8-14(13)12-17-15-9-3-1-2-4-10-15/h5-8,15H,1-4,9-10,12H2.
What are the key properties of 2-(cycloheptyloxymethyl)benzonitrile?
2-(cycloheptyloxymethyl)benzonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)benzonitrile is sourced from PubChem (CID 61069550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).