4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile

C16H21NO — CID 22155872

IUPAC4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
SMILESN#CCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15,18H,2,5-7,10-12H2
InChIKeyUUOYNWDCFYWLTB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.76
Rot. Bonds4

About 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile

4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile (PubChem CID 22155872) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile.

Molecular Properties

Compound Name4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
PubChem CID22155872
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
SMILESN#CCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15,18H,2,5-7,10-12H2
InChIKeyUUOYNWDCFYWLTB-UHFFFAOYSA-N
XLogP3.76
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile?
The IUPAC name of 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile (CID 22155872) is 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile.
What is the SMILES notation for 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile?
The canonical SMILES for 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile is N#CCCC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile?
The InChIKey is UUOYNWDCFYWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15,18H,2,5-7,10-12H2.
What are the key properties of 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile?
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile has a molecular weight of 243.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile is sourced from PubChem (CID 22155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).