2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile

C11H12FNO2 — CID 84780469

IUPAC2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1cc(O)cc(F)c1C(C)(C)C#N
InChIInChI=1S/C11H12FNO2/c1-11(2,6-13)10-8(12)4-7(14)5-9(10)15-3/h4-5,14H,1-3H3
InChIKeyYTBZWEZWQFVGMO-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.34
Rot. Bonds2

About 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile

2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile (PubChem CID 84780469) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile
PubChem CID84780469
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1cc(O)cc(F)c1C(C)(C)C#N
InChIInChI=1S/C11H12FNO2/c1-11(2,6-13)10-8(12)4-7(14)5-9(10)15-3/h4-5,14H,1-3H3
InChIKeyYTBZWEZWQFVGMO-UHFFFAOYSA-N
XLogP2.34
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
CID 84808818
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
2-(3-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82075819
2-(4-chloro-2,6-difluorophenyl)-2-methylpropanenitrile
CID 69098751
2-(4-bromo-5-fluoro-2-methoxyphenyl)-2-methylpropanenitrile
CID 84809487
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84787792
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
3-fluoro-4-methoxyphenol
CID 14661613
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
2-(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)-2-methylpropanenitrile
CID 84801158

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile (CID 84780469) is 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile is COc1cc(O)cc(F)c1C(C)(C)C#N.
What is the InChIKey of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile?
The InChIKey is YTBZWEZWQFVGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-11(2,6-13)10-8(12)4-7(14)5-9(10)15-3/h4-5,14H,1-3H3.
What are the key properties of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile?
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile has a molecular weight of 209.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 84780469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).