2-(3-hydroxycyclohexyl)oxybenzonitrile

C13H15NO2 — CID 117052783

IUPAC2-(3-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCCC(O)C1
InChIInChI=1S/C13H15NO2/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12/h1-2,4,7,11-12,15H,3,5-6,8H2
InChIKeyUEWMNBPIAKIWQK-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.24
Rot. Bonds2

About 2-(3-hydroxycyclohexyl)oxybenzonitrile

2-(3-hydroxycyclohexyl)oxybenzonitrile (PubChem CID 117052783) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-hydroxycyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name2-(3-hydroxycyclohexyl)oxybenzonitrile
PubChem CID117052783
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(3-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCCC(O)C1
InChIInChI=1S/C13H15NO2/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12/h1-2,4,7,11-12,15H,3,5-6,8H2
InChIKeyUEWMNBPIAKIWQK-UHFFFAOYSA-N
XLogP2.24
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)oxybenzonitrile
CID 79465738
2-(3-aminocyclopentyl)oxybenzonitrile
CID 79465196
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
2-(4-aminocyclohexyl)oxybenzonitrile;hydrochloride
CID 54592821
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052792
3-phenoxycyclohexan-1-ol
CID 79617811
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
ethane;2-[(3R)-oxolan-3-yl]oxybenzonitrile
CID 144718283
2-(2-adamantyloxy)benzonitrile
CID 117052786
3-pyridin-2-yloxycyclohexan-1-ol
CID 117051379

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxycyclohexyl)oxybenzonitrile?
The IUPAC name of 2-(3-hydroxycyclohexyl)oxybenzonitrile (CID 117052783) is 2-(3-hydroxycyclohexyl)oxybenzonitrile.
What is the SMILES notation for 2-(3-hydroxycyclohexyl)oxybenzonitrile?
The canonical SMILES for 2-(3-hydroxycyclohexyl)oxybenzonitrile is N#Cc1ccccc1OC1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxycyclohexyl)oxybenzonitrile?
The InChIKey is UEWMNBPIAKIWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12/h1-2,4,7,11-12,15H,3,5-6,8H2.
What are the key properties of 2-(3-hydroxycyclohexyl)oxybenzonitrile?
2-(3-hydroxycyclohexyl)oxybenzonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclohexyl)oxybenzonitrile is sourced from PubChem (CID 117052783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).