3-hydroxy-4-phenoxypentanenitrile

C11H13NO2 — CID 23310615

IUPAC3-hydroxy-4-phenoxypentanenitrile
SMILESCC(Oc1ccccc1)C(O)CC#N
InChIInChI=1S/C11H13NO2/c1-9(11(13)7-8-12)14-10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3
InChIKeyOFWVPCSYPZMYHN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.73
Rot. Bonds4

About 3-hydroxy-4-phenoxypentanenitrile

3-hydroxy-4-phenoxypentanenitrile (PubChem CID 23310615) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-hydroxy-4-phenoxypentanenitrile.

Molecular Properties

Compound Name3-hydroxy-4-phenoxypentanenitrile
PubChem CID23310615
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-hydroxy-4-phenoxypentanenitrile
SMILESCC(Oc1ccccc1)C(O)CC#N
InChIInChI=1S/C11H13NO2/c1-9(11(13)7-8-12)14-10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3
InChIKeyOFWVPCSYPZMYHN-UHFFFAOYSA-N
XLogP1.73
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-phenoxyethanol
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3-hydroxy-3-(4-propan-2-yloxyphenyl)propanenitrile
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1-phenoxypropane-1,2-diol
CID 22140567
1-phenoxybutane-1,2-diol
CID 19866542
phenyl N-(1-cyanopropan-2-yl)-N-methylcarbamate
CID 63225006
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
1-phenoxyethanol;2-phenylethanol
CID 70376198
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
1-amino-4-methyl-1-phenoxypentan-2-ol
CID 20505639

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenoxypentanenitrile?
The IUPAC name of 3-hydroxy-4-phenoxypentanenitrile (CID 23310615) is 3-hydroxy-4-phenoxypentanenitrile.
What is the SMILES notation for 3-hydroxy-4-phenoxypentanenitrile?
The canonical SMILES for 3-hydroxy-4-phenoxypentanenitrile is CC(Oc1ccccc1)C(O)CC#N.
What is the InChIKey of 3-hydroxy-4-phenoxypentanenitrile?
The InChIKey is OFWVPCSYPZMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(11(13)7-8-12)14-10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3.
What are the key properties of 3-hydroxy-4-phenoxypentanenitrile?
3-hydroxy-4-phenoxypentanenitrile has a molecular weight of 191.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenoxypentanenitrile is sourced from PubChem (CID 23310615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).