2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile

C11H12BrNO2 — CID 84808818

IUPAC2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1ccc(O)c(C(C)(C)C#N)c1Br
InChIInChI=1S/C11H12BrNO2/c1-11(2,6-13)9-7(14)4-5-8(15-3)10(9)12/h4-5,14H,1-3H3
InChIKeyJXQMMMMTYZYPGR-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.96
Rot. Bonds2

About 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile

2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile (PubChem CID 84808818) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
PubChem CID84808818
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1ccc(O)c(C(C)(C)C#N)c1Br
InChIInChI=1S/C11H12BrNO2/c1-11(2,6-13)9-7(14)4-5-8(15-3)10(9)12/h4-5,14H,1-3H3
InChIKeyJXQMMMMTYZYPGR-UHFFFAOYSA-N
XLogP2.96
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile
CID 84780469
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
CID 84810436
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(5-bromo-6-methoxynaphthalen-2-yl)-2-hydroxypropanenitrile
CID 21494940
2-bromo-4-methoxy-3-methylphenol
CID 54571766
2-(3-chloro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82077904
2-(3-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82075819
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
3-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919326
2-(4-bromo-5-fluoro-2-methoxyphenyl)-2-methylpropanenitrile
CID 84809487
2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84805082

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile (CID 84808818) is 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile is COc1ccc(O)c(C(C)(C)C#N)c1Br.
What is the InChIKey of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
The InChIKey is JXQMMMMTYZYPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-11(2,6-13)9-7(14)4-5-8(15-3)10(9)12/h4-5,14H,1-3H3.
What are the key properties of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile has a molecular weight of 270.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 84808818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).