2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile

C10H10BrNO2 — CID 84805082

IUPAC2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(C(C)C#N)c(O)c1Br
InChIInChI=1S/C10H10BrNO2/c1-6(5-12)7-3-4-8(14-2)9(11)10(7)13/h3-4,6,13H,1-2H3
InChIKeyQVZBJJNCHKJUPJ-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.79
Rot. Bonds2

About 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile

2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile (PubChem CID 84805082) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
PubChem CID84805082
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(C(C)C#N)c(O)c1Br
InChIInChI=1S/C10H10BrNO2/c1-6(5-12)7-3-4-8(14-2)9(11)10(7)13/h3-4,6,13H,1-2H3
InChIKeyQVZBJJNCHKJUPJ-UHFFFAOYSA-N
XLogP2.79
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-hydroxy-3-methoxyphenyl)propanenitrile
CID 131433064
2-(2-bromo-3-hydroxy-4-methoxyphenyl)-2-hydroxyacetonitrile
CID 14020190
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
2-(4-bromo-3,5-dimethoxyphenyl)propanenitrile
CID 84808824
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
CID 11333945
2-(2,3-dihydroxyphenyl)propanenitrile
CID 131537955
methyl 2-chloro-6-[(1R)-1-cyanoethyl]-3-methoxybenzoate
CID 129410863
2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
CID 84768882
2-(5-tert-butyl-2-methoxyphenyl)propanenitrile
CID 82079061
2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
CID 130135122
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile (CID 84805082) is 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile is COc1ccc(C(C)C#N)c(O)c1Br.
What is the InChIKey of 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile?
The InChIKey is QVZBJJNCHKJUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6(5-12)7-3-4-8(14-2)9(11)10(7)13/h3-4,6,13H,1-2H3.
What are the key properties of 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile?
2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile has a molecular weight of 256.10 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile is sourced from PubChem (CID 84805082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).