2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile

C12H15NO2 — CID 63365561

IUPAC2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile
SMILESCC[C@@H](O)c1ccc(OC(C)C#N)cc1
InChIInChI=1S/C12H15NO2/c1-3-12(14)10-4-6-11(7-5-10)15-9(2)8-13/h4-7,9,12,14H,3H2,1-2H3/t9?,12-/m1/s1
InChIKeyVMQVSMONYYNRMV-FFFFSGIJSA-N
MW205.26 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile

2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile (PubChem CID 63365561) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile
PubChem CID63365561
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile
SMILESCC[C@@H](O)c1ccc(OC(C)C#N)cc1
InChIInChI=1S/C12H15NO2/c1-3-12(14)10-4-6-11(7-5-10)15-9(2)8-13/h4-7,9,12,14H,3H2,1-2H3/t9?,12-/m1/s1
InChIKeyVMQVSMONYYNRMV-FFFFSGIJSA-N
XLogP2.42
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
3-hydroxy-3-(4-propan-2-yloxyphenyl)propanenitrile
CID 79116482
5-[4-[(1R)-1-hydroxypropyl]phenoxy]pentanenitrile
CID 78933493
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 43504470
ethyl 4-(1-cyanoethoxy)benzoate
CID 60644267
2-[4-[(2-hydroxyethylamino)methyl]phenoxy]propanenitrile
CID 111421582
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
4-[4-(1-hydroxypropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile?
The IUPAC name of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile (CID 63365561) is 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile?
The canonical SMILES for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile is CC[C@@H](O)c1ccc(OC(C)C#N)cc1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile?
The InChIKey is VMQVSMONYYNRMV-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-12(14)10-4-6-11(7-5-10)15-9(2)8-13/h4-7,9,12,14H,3H2,1-2H3/t9?,12-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile?
2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile has a molecular weight of 205.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile is sourced from PubChem (CID 63365561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).