(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile

C20H15NO — CID 129383217

IUPAC(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H15NO/c21-15-20(16-8-3-1-4-9-16)17-10-7-13-19(14-17)22-18-11-5-2-6-12-18/h1-14,20H/t20-/m1/s1
InChIKeyAIMYTHLMYPFGJM-HXUWFJFHSA-N
MW285.35 g/mol
LogP5.13
Rot. Bonds4

About (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile

(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile (PubChem CID 129383217) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
PubChem CID129383217
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H15NO/c21-15-20(16-8-3-1-4-9-16)17-10-7-13-19(14-17)22-18-11-5-2-6-12-18/h1-14,20H/t20-/m1/s1
InChIKeyAIMYTHLMYPFGJM-HXUWFJFHSA-N
XLogP5.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
2-(5-chloro-2-propan-2-ylphenyl)-2-(3-phenoxyphenyl)acetonitrile
CID 67767137
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 10935387
2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
CID 171260327
2-(4-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)acetonitrile
CID 112539509
1-(3-phenoxyphenyl)ethanol
CID 12882419
2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
CID 165348028
2-(3-hydroxypropylamino)-2-(3-phenoxyphenyl)acetonitrile
CID 62585886
2-[hydroxy-(3-phenoxyphenyl)methyl]-2-methylbutanenitrile
CID 79124896
propan-2-yl 2-[4-chloro-2-[cyano-(3-phenoxyphenyl)methyl]phenyl]acetate
CID 67767297

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile?
The IUPAC name of (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile (CID 129383217) is (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile is N#C[C@H](c1ccccc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile?
The InChIKey is AIMYTHLMYPFGJM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15NO/c21-15-20(16-8-3-1-4-9-16)17-10-7-13-19(14-17)22-18-11-5-2-6-12-18/h1-14,20H/t20-/m1/s1.
What are the key properties of (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile?
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile has a molecular weight of 285.35 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile is sourced from PubChem (CID 129383217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).