2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene

C19H23Br — CID 66040940

IUPAC2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(CBr)Cc2ccccc2C)c1
InChIInChI=1S/C19H23Br/c1-14-8-9-16(3)19(10-14)12-17(13-20)11-18-7-5-4-6-15(18)2/h4-10,17H,11-13H2,1-3H3
InChIKeyKDMVHMHMYLUVOZ-UHFFFAOYSA-N
MW331.30 g/mol
LogP5.41
Rot. Bonds5

About 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene

2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene (PubChem CID 66040940) has the molecular formula C19H23Br and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
PubChem CID66040940
Molecular FormulaC19H23Br
Molecular Weight331.30 g/mol
Exact Mass330.10
IUPAC Name2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(CBr)Cc2ccccc2C)c1
InChIInChI=1S/C19H23Br/c1-14-8-9-16(3)19(10-14)12-17(13-20)11-18-7-5-4-6-15(18)2/h4-10,17H,11-13H2,1-3H3
InChIKeyKDMVHMHMYLUVOZ-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.30
LogP ≤ 55.41
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-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-dimethylbenzene
CID 66050801
1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
CID 66040938
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methylbenzene
CID 66041139
4-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,2-difluorobenzene
CID 82935081
1-(3-bromo-2-fluoropropyl)-2-methylbenzene
CID 122239723
3-bromo-5-[2-(bromomethyl)-3-(2-methylphenyl)propyl]pyridine
CID 113456098
4-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1-methoxybenzene
CID 66041337
5-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-4-chloro-1,3-dimethylpyrazole
CID 66043750
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62516825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene (CID 66040940) is 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CC(CBr)Cc2ccccc2C)c1.
What is the InChIKey of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene?
The InChIKey is KDMVHMHMYLUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Br/c1-14-8-9-16(3)19(10-14)12-17(13-20)11-18-7-5-4-6-15(18)2/h4-10,17H,11-13H2,1-3H3.
What are the key properties of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene?
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene has a molecular weight of 331.30 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene is sourced from PubChem (CID 66040940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).