2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile

C10H10BrNO — CID 84800310

IUPAC2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
SMILESCOc1cc(C)cc(Br)c1CC#N
InChIInChI=1S/C10H10BrNO/c1-7-5-9(11)8(3-4-12)10(6-7)13-2/h5-6H,3H2,1-2H3
InChIKeyCAEKMZJENNXAAF-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.83
Rot. Bonds2

About 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile

2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile (PubChem CID 84800310) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
PubChem CID84800310
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
SMILESCOc1cc(C)cc(Br)c1CC#N
InChIInChI=1S/C10H10BrNO/c1-7-5-9(11)8(3-4-12)10(6-7)13-2/h5-6H,3H2,1-2H3
InChIKeyCAEKMZJENNXAAF-UHFFFAOYSA-N
XLogP2.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
2-(6-bromo-2,3,4-trimethoxyphenyl)acetonitrile
CID 84813475
2-bromo-6-methoxy-4-methylbenzonitrile
CID 131293442
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
CID 119002608
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-(hydroxymethyl)-3-methoxy-5-methylbenzonitrile
CID 131532473
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84804582
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896
2-ethyl-3-methoxy-5-methylbenzonitrile
CID 121227165
2-(3-bromo-4,5-dimethoxyphenyl)acetonitrile
CID 54857282

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile (CID 84800310) is 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile is COc1cc(C)cc(Br)c1CC#N.
What is the InChIKey of 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile?
The InChIKey is CAEKMZJENNXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-5-9(11)8(3-4-12)10(6-7)13-2/h5-6H,3H2,1-2H3.
What are the key properties of 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile?
2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile has a molecular weight of 240.10 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile is sourced from PubChem (CID 84800310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).