2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile

C9H8FNO — CID 171021976

IUPAC2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
SMILESCc1cc(F)cc(O)c1CC#N
InChIInChI=1S/C9H8FNO/c1-6-4-7(10)5-9(12)8(6)2-3-11/h4-5,12H,2H2,1H3
InChIKeyMPPZYCVKRTXLPK-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.91
Rot. Bonds1

About 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile

2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile (PubChem CID 171021976) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
PubChem CID171021976
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
SMILESCc1cc(F)cc(O)c1CC#N
InChIInChI=1S/C9H8FNO/c1-6-4-7(10)5-9(12)8(6)2-3-11/h4-5,12H,2H2,1H3
InChIKeyMPPZYCVKRTXLPK-UHFFFAOYSA-N
XLogP1.91
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
CID 171021297
2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
CID 84766939
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
5-fluoro-3-hydroxy-2-methylbenzonitrile
CID 86715311
2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
CID 84773777
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile
CID 117302279
2-[5-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetonitrile
CID 171020418
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
2-bromo-5-fluoro-3-methylphenol
CID 118995128
2-(2-chloro-6-hydroxy-3-methylphenyl)acetonitrile
CID 84768638
2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
CID 84800308
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile?
The IUPAC name of 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile (CID 171021976) is 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile is Cc1cc(F)cc(O)c1CC#N.
What is the InChIKey of 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile?
The InChIKey is MPPZYCVKRTXLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-4-7(10)5-9(12)8(6)2-3-11/h4-5,12H,2H2,1H3.
What are the key properties of 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile?
2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile has a molecular weight of 165.17 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile is sourced from PubChem (CID 171021976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).