3-(3-hydroxycyclohexyl)oxybenzonitrile

C13H15NO2 — CID 117052718

IUPAC3-(3-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1cccc(OC2CCCC(O)C2)c1
InChIInChI=1S/C13H15NO2/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1,3,5,7,11,13,15H,2,4,6,8H2
InChIKeyMUNDHCGILAKEPB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.24
Rot. Bonds2

About 3-(3-hydroxycyclohexyl)oxybenzonitrile

3-(3-hydroxycyclohexyl)oxybenzonitrile (PubChem CID 117052718) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3-hydroxycyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name3-(3-hydroxycyclohexyl)oxybenzonitrile
PubChem CID117052718
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(3-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1cccc(OC2CCCC(O)C2)c1
InChIInChI=1S/C13H15NO2/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1,3,5,7,11,13,15H,2,4,6,8H2
InChIKeyMUNDHCGILAKEPB-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

3-(3-hydroxycyclohexyl)oxyphenol
CID 117095404
1-methylpiperidin-3-ol;3-(1-methylpiperidin-3-yl)oxybenzonitrile
CID 69045352
3-phenoxycyclohexan-1-ol
CID 79617811
3-piperidin-3-yloxybenzonitrile
CID 22309128
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618801
3-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292493
2-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052783
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
3-[1-(4-hydroxybutyl)piperidin-4-yl]oxybenzonitrile
CID 111102144
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014
3-(4-chlorophenoxy)cyclohexan-1-ol
CID 123350797
cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol
CID 97056382

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclohexyl)oxybenzonitrile?
The IUPAC name of 3-(3-hydroxycyclohexyl)oxybenzonitrile (CID 117052718) is 3-(3-hydroxycyclohexyl)oxybenzonitrile.
What is the SMILES notation for 3-(3-hydroxycyclohexyl)oxybenzonitrile?
The canonical SMILES for 3-(3-hydroxycyclohexyl)oxybenzonitrile is N#Cc1cccc(OC2CCCC(O)C2)c1.
What is the InChIKey of 3-(3-hydroxycyclohexyl)oxybenzonitrile?
The InChIKey is MUNDHCGILAKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1,3,5,7,11,13,15H,2,4,6,8H2.
What are the key properties of 3-(3-hydroxycyclohexyl)oxybenzonitrile?
3-(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 3-(3-hydroxycyclohexyl)oxybenzonitrile is sourced from PubChem (CID 117052718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).