2-(bromomethyl)-1,4-dimethylbenzene;methane

C10H15Br — CID 178158630

IUPAC2-(bromomethyl)-1,4-dimethylbenzene;methane
SMILESC.Cc1ccc(C)c(CBr)c1
InChIInChI=1S/C9H11Br.CH4/c1-7-3-4-8(2)9(5-7)6-10;/h3-5H,6H2,1-2H3;1H4
InChIKeyVHYYZYWRBJFQIN-UHFFFAOYSA-N
MW215.13 g/mol
LogP3.83
Rot. Bonds1

About 2-(bromomethyl)-1,4-dimethylbenzene;methane

2-(bromomethyl)-1,4-dimethylbenzene;methane (PubChem CID 178158630) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-(bromomethyl)-1,4-dimethylbenzene;methane.

Molecular Properties

Compound Name2-(bromomethyl)-1,4-dimethylbenzene;methane
PubChem CID178158630
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name2-(bromomethyl)-1,4-dimethylbenzene;methane
SMILESC.Cc1ccc(C)c(CBr)c1
InChIInChI=1S/C9H11Br.CH4/c1-7-3-4-8(2)9(5-7)6-10;/h3-5H,6H2,1-2H3;1H4
InChIKeyVHYYZYWRBJFQIN-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 53.83
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

2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
CID 90322355
4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene
CID 79452952
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,4-dimethylbenzene;methane?
The IUPAC name of 2-(bromomethyl)-1,4-dimethylbenzene;methane (CID 178158630) is 2-(bromomethyl)-1,4-dimethylbenzene;methane.
What is the SMILES notation for 2-(bromomethyl)-1,4-dimethylbenzene;methane?
The canonical SMILES for 2-(bromomethyl)-1,4-dimethylbenzene;methane is C.Cc1ccc(C)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1,4-dimethylbenzene;methane?
The InChIKey is VHYYZYWRBJFQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br.CH4/c1-7-3-4-8(2)9(5-7)6-10;/h3-5H,6H2,1-2H3;1H4.
What are the key properties of 2-(bromomethyl)-1,4-dimethylbenzene;methane?
2-(bromomethyl)-1,4-dimethylbenzene;methane has a molecular weight of 215.13 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,4-dimethylbenzene;methane is sourced from PubChem (CID 178158630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).