1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene

C14H12Br2 — CID 63439600

IUPAC1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1C(Br)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br2/c1-10-4-2-3-5-13(10)14(16)11-6-8-12(15)9-7-11/h2-9,14H,1H3
InChIKeyOWYJIZIVJUDXOU-UHFFFAOYSA-N
MW340.06 g/mol
LogP5.24
Rot. Bonds2

About 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene

1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene (PubChem CID 63439600) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
PubChem CID63439600
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1C(Br)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br2/c1-10-4-2-3-5-13(10)14(16)11-6-8-12(15)9-7-11/h2-9,14H,1H3
InChIKeyOWYJIZIVJUDXOU-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene
CID 142171176
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
2-[bromo-(4-bromophenyl)methyl]benzoic acid
CID 11728364
2-[(R)-bromo-(4-bromophenyl)methyl]benzoic acid
CID 92983356
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
4-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 65311990
2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
CID 107957822
1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
CID 63437033

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene (CID 63439600) is 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene is Cc1ccccc1C(Br)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene?
The InChIKey is OWYJIZIVJUDXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c1-10-4-2-3-5-13(10)14(16)11-6-8-12(15)9-7-11/h2-9,14H,1H3.
What are the key properties of 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene?
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene has a molecular weight of 340.06 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 63439600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).