1-bromo-4-(2-bromoethyl)-2-methylbenzene

C9H10Br2 — CID 66480318

IUPAC1-bromo-4-(2-bromoethyl)-2-methylbenzene
SMILESCc1cc(CCBr)ccc1Br
InChIInChI=1S/C9H10Br2/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyPUZRBJSCTKUUTO-UHFFFAOYSA-N
MW277.99 g/mol
LogP3.69
Rot. Bonds2

About 1-bromo-4-(2-bromoethyl)-2-methylbenzene

1-bromo-4-(2-bromoethyl)-2-methylbenzene (PubChem CID 66480318) has the molecular formula C9H10Br2 and a molecular weight of 277.99 g/mol. Its IUPAC name is 1-bromo-4-(2-bromoethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-(2-bromoethyl)-2-methylbenzene
PubChem CID66480318
Molecular FormulaC9H10Br2
Molecular Weight277.99 g/mol
Exact Mass275.91
IUPAC Name1-bromo-4-(2-bromoethyl)-2-methylbenzene
SMILESCc1cc(CCBr)ccc1Br
InChIInChI=1S/C9H10Br2/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyPUZRBJSCTKUUTO-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.99
LogP ≤ 53.69
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

4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
3-(4-bromo-3-methylphenyl)-N-methylpropan-1-amine
CID 82293297
N-[2-(4-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 66480115
1-bromo-4-[9-(4-bromo-3-chlorophenyl)nonyl]-2-methylbenzene
CID 144874601
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
2-[4-(2-bromoethyl)-2-methylphenyl]acetic acid
CID 176900475
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
3-(4-bromo-3-methylphenyl)-2-chloropropanoic acid
CID 82054766
bromo 4-(2-bromoethyl)-2-methylbenzoate
CID 174619261
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-bromoethyl)-2-methylbenzene?
The IUPAC name of 1-bromo-4-(2-bromoethyl)-2-methylbenzene (CID 66480318) is 1-bromo-4-(2-bromoethyl)-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-(2-bromoethyl)-2-methylbenzene?
The canonical SMILES for 1-bromo-4-(2-bromoethyl)-2-methylbenzene is Cc1cc(CCBr)ccc1Br.
What is the InChIKey of 1-bromo-4-(2-bromoethyl)-2-methylbenzene?
The InChIKey is PUZRBJSCTKUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-bromo-4-(2-bromoethyl)-2-methylbenzene?
1-bromo-4-(2-bromoethyl)-2-methylbenzene has a molecular weight of 277.99 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-bromoethyl)-2-methylbenzene is sourced from PubChem (CID 66480318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).