1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene

C11H12Br2O — CID 15454074

IUPAC1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C11H12Br2O/c1-7(2)6-14-11-8(3)4-9(12)5-10(11)13/h4-5H,1,6H2,2-3H3
InChIKeyLHFHAKCQSWSXDB-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.47
Rot. Bonds3

About 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene

1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene (PubChem CID 15454074) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
PubChem CID15454074
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C11H12Br2O/c1-7(2)6-14-11-8(3)4-9(12)5-10(11)13/h4-5H,1,6H2,2-3H3
InChIKeyLHFHAKCQSWSXDB-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097631
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
1,3,5-tribromo-2-[1-(2-methylprop-2-enoxy)ethoxy]benzene
CID 70402954
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene
CID 152753476
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
N-benzyl-N-[2-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]ethyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504840
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927218
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene (CID 15454074) is 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene is C=C(C)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene?
The InChIKey is LHFHAKCQSWSXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-7(2)6-14-11-8(3)4-9(12)5-10(11)13/h4-5H,1,6H2,2-3H3.
What are the key properties of 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene?
1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene has a molecular weight of 320.02 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 15454074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).