(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile

C18H19NO — CID 102509544

IUPAC(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile
SMILESCc1cc(C)c([C@@H](C#N)[C@@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12-9-13(2)17(14(3)10-12)16(11-19)18(20)15-7-5-4-6-8-15/h4-10,16,18,20H,1-3H3/t16-,18+/m1/s1
InChIKeyRZBCHVXVMPXFKM-AEFFLSMTSA-N
MW265.36 g/mol
LogP3.95
Rot. Bonds3

About (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile

(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile (PubChem CID 102509544) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile
PubChem CID102509544
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile
SMILESCc1cc(C)c([C@@H](C#N)[C@@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12-9-13(2)17(14(3)10-12)16(11-19)18(20)15-7-5-4-6-8-15/h4-10,16,18,20H,1-3H3/t16-,18+/m1/s1
InChIKeyRZBCHVXVMPXFKM-AEFFLSMTSA-N
XLogP3.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(dibenzylamino)-3-hydroxy-3-(2,4,6-trimethylphenyl)propanenitrile
CID 11783949
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-2-phenylethanol
CID 106680320
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 106881196
(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
CID 102509565
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
1,2-diphenylethane-1,2-diol
CID 159073808
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
2-(1,3-diphenylprop-2-ynyl)-1,3,5-trimethylbenzene
CID 53349239
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile?
The IUPAC name of (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile (CID 102509544) is (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile.
What is the SMILES notation for (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile?
The canonical SMILES for (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile is Cc1cc(C)c([C@@H](C#N)[C@@H](O)c2ccccc2)c(C)c1.
What is the InChIKey of (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile?
The InChIKey is RZBCHVXVMPXFKM-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-9-13(2)17(14(3)10-12)16(11-19)18(20)15-7-5-4-6-8-15/h4-10,16,18,20H,1-3H3/t16-,18+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile?
(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile has a molecular weight of 265.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile is sourced from PubChem (CID 102509544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).