2,2-dibenzyl-3-hydroxypropanenitrile

C17H17NO — CID 15566621

IUPAC2,2-dibenzyl-3-hydroxypropanenitrile
SMILESN#CC(CO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17NO/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,19H,11-12,14H2
InChIKeyWEUVLBIUANRZCS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.97
Rot. Bonds5

About 2,2-dibenzyl-3-hydroxypropanenitrile

2,2-dibenzyl-3-hydroxypropanenitrile (PubChem CID 15566621) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,2-dibenzyl-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2,2-dibenzyl-3-hydroxypropanenitrile
PubChem CID15566621
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2,2-dibenzyl-3-hydroxypropanenitrile
SMILESN#CC(CO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17NO/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,19H,11-12,14H2
InChIKeyWEUVLBIUANRZCS-UHFFFAOYSA-N
XLogP2.97
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-hydroxypropanedinitrile
CID 15525239
2,2-difluoro-3-phenylpropanenitrile
CID 83855334
(2S)-2-bromo-2-chloro-3-phenylpropanenitrile
CID 164682324
2-benzyl-2-ethenylpropanedinitrile
CID 54049686
(2R)-2-benzyl-2-hydroxybutanenitrile
CID 124564557
2-benzyl-3,3,3-trifluoro-2-methylpropanenitrile
CID 122229682
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
2-benzyl-2-methylbutanenitrile
CID 65377862
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-3-hydroxypropanenitrile?
The IUPAC name of 2,2-dibenzyl-3-hydroxypropanenitrile (CID 15566621) is 2,2-dibenzyl-3-hydroxypropanenitrile.
What is the SMILES notation for 2,2-dibenzyl-3-hydroxypropanenitrile?
The canonical SMILES for 2,2-dibenzyl-3-hydroxypropanenitrile is N#CC(CO)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2,2-dibenzyl-3-hydroxypropanenitrile?
The InChIKey is WEUVLBIUANRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,19H,11-12,14H2.
What are the key properties of 2,2-dibenzyl-3-hydroxypropanenitrile?
2,2-dibenzyl-3-hydroxypropanenitrile has a molecular weight of 251.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-3-hydroxypropanenitrile is sourced from PubChem (CID 15566621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).