4-[(1-hydroxycyclohexyl)methoxy]benzonitrile

C14H17NO2 — CID 65213795

IUPAC4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C14H17NO2/c15-10-12-4-6-13(7-5-12)17-11-14(16)8-2-1-3-9-14/h4-7,16H,1-3,8-9,11H2
InChIKeyBNWHTPLIZOGPAI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.63
Rot. Bonds3

About 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile

4-[(1-hydroxycyclohexyl)methoxy]benzonitrile (PubChem CID 65213795) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
PubChem CID65213795
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C14H17NO2/c15-10-12-4-6-13(7-5-12)17-11-14(16)8-2-1-3-9-14/h4-7,16H,1-3,8-9,11H2
InChIKeyBNWHTPLIZOGPAI-UHFFFAOYSA-N
XLogP2.63
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301
4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile
CID 23087108
3-ethoxy-4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213657
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003047
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760086
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111485845
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2426774
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213368

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile (CID 65213795) is 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile is N#Cc1ccc(OCC2(O)CCCCC2)cc1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile?
The InChIKey is BNWHTPLIZOGPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-10-12-4-6-13(7-5-12)17-11-14(16)8-2-1-3-9-14/h4-7,16H,1-3,8-9,11H2.
What are the key properties of 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile?
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile has a molecular weight of 231.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methoxy]benzonitrile is sourced from PubChem (CID 65213795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).