(2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile

C15H13NO2 — CID 129385673

IUPAC(2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile
SMILESC[C@H](C#N)Oc1ccccc1-c1cccc(O)c1
InChIInChI=1S/C15H13NO2/c1-11(10-16)18-15-8-3-2-7-14(15)12-5-4-6-13(17)9-12/h2-9,11,17H,1H3/t11-/m1/s1
InChIKeyMBUAVSYJAOGBCX-LLVKDONJSA-N
MW239.27 g/mol
LogP3.35
Rot. Bonds3

About (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile

(2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile (PubChem CID 129385673) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile
PubChem CID129385673
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile
SMILESC[C@H](C#N)Oc1ccccc1-c1cccc(O)c1
InChIInChI=1S/C15H13NO2/c1-11(10-16)18-15-8-3-2-7-14(15)12-5-4-6-13(17)9-12/h2-9,11,17H,1H3/t11-/m1/s1
InChIKeyMBUAVSYJAOGBCX-LLVKDONJSA-N
XLogP3.35
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile?
The IUPAC name of (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile (CID 129385673) is (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile.
What is the SMILES notation for (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile?
The canonical SMILES for (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile is C[C@H](C#N)Oc1ccccc1-c1cccc(O)c1.
What is the InChIKey of (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile?
The InChIKey is MBUAVSYJAOGBCX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(10-16)18-15-8-3-2-7-14(15)12-5-4-6-13(17)9-12/h2-9,11,17H,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile?
(2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile has a molecular weight of 239.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3-hydroxyphenyl)phenoxy]propanenitrile is sourced from PubChem (CID 129385673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).