1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene

C15H15Br — CID 152616101

IUPAC1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1c(C)cccc1CBr
InChIInChI=1S/C15H15Br/c1-11-6-3-4-9-14(11)15-12(2)7-5-8-13(15)10-16/h3-9H,10H2,1-2H3
InChIKeyZANMKOQHTWQSLB-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.87
Rot. Bonds2

About 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene

1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene (PubChem CID 152616101) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene
PubChem CID152616101
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1c(C)cccc1CBr
InChIInChI=1S/C15H15Br/c1-11-6-3-4-9-14(11)15-12(2)7-5-8-13(15)10-16/h3-9H,10H2,1-2H3
InChIKeyZANMKOQHTWQSLB-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene (CID 152616101) is 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene is Cc1ccccc1-c1c(C)cccc1CBr.
What is the InChIKey of 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene?
The InChIKey is ZANMKOQHTWQSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-11-6-3-4-9-14(11)15-12(2)7-5-8-13(15)10-16/h3-9H,10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene?
1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene has a molecular weight of 275.19 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 152616101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).