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

C9H8FNO — CID 171021297

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

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

2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile (PubChem CID 171021297) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
PubChem CID171021297
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
SMILESCc1cc(O)c(CC#N)c(F)c1
InChIInChI=1S/C9H8FNO/c1-6-4-8(10)7(2-3-11)9(12)5-6/h4-5,12H,2H2,1H3
InChIKeyXRWXCKSSBOKSLU-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-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
CID 171021976
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)acetonitrile
CID 117403738
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
CID 84766939
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile
CID 169121751
2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
CID 46737617
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile (CID 171021297) is 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile is Cc1cc(O)c(CC#N)c(F)c1.
What is the InChIKey of 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile?
The InChIKey is XRWXCKSSBOKSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-4-8(10)7(2-3-11)9(12)5-6/h4-5,12H,2H2,1H3.
What are the key properties of 2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile?
2-(2-fluoro-6-hydroxy-4-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-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile is sourced from PubChem (CID 171021297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).