(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile

C16H15NO2 — CID 125466058

IUPAC(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
SMILESN#CC[C@H](O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c17-11-10-14(18)12-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-9,14,18H,10,12H2/t14-/m0/s1
InChIKeyQIPUSOJFWJGUSY-AWEZNQCLSA-N
MW253.30 g/mol
LogP3.30
Rot. Bonds5

About (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile

(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile (PubChem CID 125466058) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
PubChem CID125466058
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
SMILESN#CC[C@H](O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c17-11-10-14(18)12-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-9,14,18H,10,12H2/t14-/m0/s1
InChIKeyQIPUSOJFWJGUSY-AWEZNQCLSA-N
XLogP3.30
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
3-hydroxy-4-(4-methylphenyl)butanenitrile
CID 82074874
1-(4-phenoxyphenyl)but-3-yn-2-ol
CID 23170409
4-(4-tert-butylphenyl)-3-hydroxybutanenitrile
CID 82079041
(3S)-3-amino-3-(4-phenoxyphenyl)propanenitrile
CID 171260053
(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile
CID 125477803
3-[(4-phenoxyphenyl)methylamino]propanenitrile
CID 115230861
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
CID 11436051
4-(3-benzoylphenyl)-3-hydroxybutanenitrile
CID 21495682
2-(4-phenoxyphenoxy)acetonitrile
CID 22688450
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile?
The IUPAC name of (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile (CID 125466058) is (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile.
What is the SMILES notation for (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile?
The canonical SMILES for (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile is N#CC[C@H](O)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile?
The InChIKey is QIPUSOJFWJGUSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO2/c17-11-10-14(18)12-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-9,14,18H,10,12H2/t14-/m0/s1.
What are the key properties of (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile?
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile has a molecular weight of 253.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile is sourced from PubChem (CID 125466058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).