(2S)-2-(3-phenoxyphenyl)propanenitrile

C15H13NO — CID 90362403

IUPAC(2S)-2-(3-phenoxyphenyl)propanenitrile
SMILESC[C@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3/t12-/m1/s1
InChIKeyJSCONFOVXYGOST-GFCCVEGCSA-N
MW223.28 g/mol
LogP4.11
Rot. Bonds3

About (2S)-2-(3-phenoxyphenyl)propanenitrile

(2S)-2-(3-phenoxyphenyl)propanenitrile (PubChem CID 90362403) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-2-(3-phenoxyphenyl)propanenitrile.

Molecular Properties

Compound Name(2S)-2-(3-phenoxyphenyl)propanenitrile
PubChem CID90362403
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(2S)-2-(3-phenoxyphenyl)propanenitrile
SMILESC[C@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3/t12-/m1/s1
InChIKeyJSCONFOVXYGOST-GFCCVEGCSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
CID 165348028
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217
2-(3-ethoxyphenyl)propanenitrile
CID 130134984
1-(3-phenoxyphenyl)ethanol
CID 12882419
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 10935387
ethane;2-phenylpropanenitrile
CID 91366777
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181
2-(5-chloro-2-propan-2-ylphenyl)-2-(3-phenoxyphenyl)acetonitrile
CID 67767137
(2R)-2-(3-phenoxyphenyl)propanal
CID 92977533
2-[cyano-(3-phenoxyphenyl)methyl]-5,5-difluoro-3-methyl-2-propan-2-ylpent-4-enoic acid
CID 54108143
2-(4-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)acetonitrile
CID 112539509
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
CID 171260327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenoxyphenyl)propanenitrile?
The IUPAC name of (2S)-2-(3-phenoxyphenyl)propanenitrile (CID 90362403) is (2S)-2-(3-phenoxyphenyl)propanenitrile.
What is the SMILES notation for (2S)-2-(3-phenoxyphenyl)propanenitrile?
The canonical SMILES for (2S)-2-(3-phenoxyphenyl)propanenitrile is C[C@H](C#N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-phenoxyphenyl)propanenitrile?
The InChIKey is JSCONFOVXYGOST-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3/t12-/m1/s1.
What are the key properties of (2S)-2-(3-phenoxyphenyl)propanenitrile?
(2S)-2-(3-phenoxyphenyl)propanenitrile has a molecular weight of 223.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenoxyphenyl)propanenitrile is sourced from PubChem (CID 90362403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).