1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile

C17H23NO — CID 79129358

IUPAC1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile
SMILESCCCC(O)(c1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C17H23NO/c1-2-11-17(19,15-9-5-3-6-10-15)16(14-18)12-7-4-8-13-16/h3,5-6,9-10,19H,2,4,7-8,11-13H2,1H3
InChIKeyFZXJAGOODGJESU-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.15
Rot. Bonds4

About 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile

1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile (PubChem CID 79129358) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile
PubChem CID79129358
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile
SMILESCCCC(O)(c1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C17H23NO/c1-2-11-17(19,15-9-5-3-6-10-15)16(14-18)12-7-4-8-13-16/h3,5-6,9-10,19H,2,4,7-8,11-13H2,1H3
InChIKeyFZXJAGOODGJESU-UHFFFAOYSA-N
XLogP4.15
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-1-phenylbutan-1-ol
CID 79135376
1-[1-(2-fluorophenyl)-1-hydroxypropyl]cycloheptane-1-carbonitrile
CID 115997291
4-ethyl-1-(1-hydroxy-2-methoxy-1-phenylethyl)cyclohexane-1-carbonitrile
CID 103466436
(Z,6R)-6-(1-cyanocyclobutyl)-6-hydroxy-6-phenyl-3-propylhex-2-en-4-ynoic acid
CID 125486405
1-(1-hydroxy-1-phenylprop-2-ynyl)cyclobutane-1-carbonitrile
CID 118671494
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol
CID 79125512
1-[1-hydroxy-1-(3-methylphenyl)ethyl]cyclooctane-1-carbonitrile
CID 80603503
3-(1-hydroxy-2-methoxy-1-phenylethyl)-1,1-dioxothiolane-3-carbonitrile
CID 103466442
3-(1-hydroxy-1-phenylethyl)oxane-3-carbonitrile
CID 103715669
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
CID 79135925

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile (CID 79129358) is 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile is CCCC(O)(c1ccccc1)C1(C#N)CCCCC1.
What is the InChIKey of 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile?
The InChIKey is FZXJAGOODGJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-11-17(19,15-9-5-3-6-10-15)16(14-18)12-7-4-8-13-16/h3,5-6,9-10,19H,2,4,7-8,11-13H2,1H3.
What are the key properties of 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile?
1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79129358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).