2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile

C10H10FNO2 — CID 83389401

IUPAC2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile
SMILESCOc1ccc(F)c(C(C)(O)C#N)c1
InChIInChI=1S/C10H10FNO2/c1-10(13,6-12)8-5-7(14-2)3-4-9(8)11/h3-5,13H,1-2H3
InChIKeyWANPJRGVOUIOJP-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.57
Rot. Bonds2

About 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile

2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile (PubChem CID 83389401) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile
PubChem CID83389401
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile
SMILESCOc1ccc(F)c(C(C)(O)C#N)c1
InChIInChI=1S/C10H10FNO2/c1-10(13,6-12)8-5-7(14-2)3-4-9(8)11/h3-5,13H,1-2H3
InChIKeyWANPJRGVOUIOJP-UHFFFAOYSA-N
XLogP1.57
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-fluoro-5-methoxyphenyl)propan-1-ol
CID 55271150
2-(4-methoxy-2-methylsulfanylphenyl)-2-methylpropanenitrile
CID 84788203
2-(2-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropanenitrile
CID 84791704
(2S)-2-[4-methoxy-2-(trifluoromethyl)phenyl]but-3-en-2-ol
CID 125449632
2-(5-bromo-2-fluorophenyl)-2-(3-methoxyanilino)propanenitrile
CID 82963424
(E)-3-(2-fluoro-5-methoxyphenyl)prop-2-enenitrile
CID 70274102
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257858
(3S)-3-amino-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171242892
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
3-hydroxy-3-(3-methoxyphenyl)-2,2-dimethylbutanenitrile
CID 79130927
2-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 57349674

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile (CID 83389401) is 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile is COc1ccc(F)c(C(C)(O)C#N)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile?
The InChIKey is WANPJRGVOUIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-10(13,6-12)8-5-7(14-2)3-4-9(8)11/h3-5,13H,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile?
2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile has a molecular weight of 195.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-2-hydroxypropanenitrile is sourced from PubChem (CID 83389401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).