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

C17H17NO2 — CID 142968538

IUPAC(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
SMILESN#CC[C@@H](CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c18-11-10-16(12-19)15-6-8-17(9-7-15)20-13-14-4-2-1-3-5-14/h1-9,16,19H,10,12-13H2/t16-/m0/s1
InChIKeyVUIKRRXRYPKEOX-INIZCTEOSA-N
MW267.33 g/mol
LogP3.26
Rot. Bonds6

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

(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile (PubChem CID 142968538) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile.

Molecular Properties

Compound Name(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
PubChem CID142968538
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
SMILESN#CC[C@@H](CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c18-11-10-16(12-19)15-6-8-17(9-7-15)20-13-14-4-2-1-3-5-14/h1-9,16,19H,10,12-13H2/t16-/m0/s1
InChIKeyVUIKRRXRYPKEOX-INIZCTEOSA-N
XLogP3.26
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylmethoxyphenyl)-4-propoxybutanenitrile
CID 142968702
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
1-hex-5-yn-3-yl-4-phenylmethoxybenzene
CID 83932960
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
(3R)-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307026
2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
CID 83932910
2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
CID 88683365
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841

Frequently Asked Questions

What is the IUPAC name of (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile?
The IUPAC name of (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile (CID 142968538) is (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile.
What is the SMILES notation for (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile?
The canonical SMILES for (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile is N#CC[C@@H](CO)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile?
The InChIKey is VUIKRRXRYPKEOX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO2/c18-11-10-16(12-19)15-6-8-17(9-7-15)20-13-14-4-2-1-3-5-14/h1-9,16,19H,10,12-13H2/t16-/m0/s1.
What are the key properties of (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile?
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile has a molecular weight of 267.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile is sourced from PubChem (CID 142968538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).