(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile

C14H19NO — CID 125465966

IUPAC(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
SMILESCCC[C@@](C#N)(C[C@H](C)O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-9-14(11-15,10-12(2)16)13-7-5-4-6-8-13/h4-8,12,16H,3,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyMJLZZJGTNXIZRI-JSGCOSHPSA-N
MW217.31 g/mol
LogP3.02
Rot. Bonds5

About (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile

(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile (PubChem CID 125465966) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
PubChem CID125465966
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
SMILESCCC[C@@](C#N)(C[C@H](C)O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-9-14(11-15,10-12(2)16)13-7-5-4-6-8-13/h4-8,12,16H,3,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyMJLZZJGTNXIZRI-JSGCOSHPSA-N
XLogP3.02
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile?
The IUPAC name of (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile (CID 125465966) is (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile.
What is the SMILES notation for (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile?
The canonical SMILES for (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile is CCC[C@@](C#N)(C[C@H](C)O)c1ccccc1.
What is the InChIKey of (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile?
The InChIKey is MJLZZJGTNXIZRI-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-9-14(11-15,10-12(2)16)13-7-5-4-6-8-13/h4-8,12,16H,3,9-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile?
(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile is sourced from PubChem (CID 125465966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).