1,2-bis(2-bromoethyl)-4-methylbenzene

C11H14Br2 — CID 54559058

IUPAC1,2-bis(2-bromoethyl)-4-methylbenzene
SMILESCc1ccc(CCBr)c(CCBr)c1
InChIInChI=1S/C11H14Br2/c1-9-2-3-10(4-6-12)11(8-9)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyZPFXAZLWDJINOR-UHFFFAOYSA-N
MW306.04 g/mol
LogP3.87
Rot. Bonds4

About 1,2-bis(2-bromoethyl)-4-methylbenzene

1,2-bis(2-bromoethyl)-4-methylbenzene (PubChem CID 54559058) has the molecular formula C11H14Br2 and a molecular weight of 306.04 g/mol. Its IUPAC name is 1,2-bis(2-bromoethyl)-4-methylbenzene.

Molecular Properties

Compound Name1,2-bis(2-bromoethyl)-4-methylbenzene
PubChem CID54559058
Molecular FormulaC11H14Br2
Molecular Weight306.04 g/mol
Exact Mass303.95
IUPAC Name1,2-bis(2-bromoethyl)-4-methylbenzene
SMILESCc1ccc(CCBr)c(CCBr)c1
InChIInChI=1S/C11H14Br2/c1-9-2-3-10(4-6-12)11(8-9)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyZPFXAZLWDJINOR-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoethyl)-2,3-dimethylphenol
CID 171479549
1,2-diethyl-4-methylbenzene;methane
CID 174446118
4-(2-bromoethyl)-3-methylphenol
CID 154476317
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
[4-methyl-2-(sulfanylmethyl)phenyl]methanethiol
CID 89270065
2-(3-bromopropyl)-4-methylbenzonitrile
CID 118842216
3-bromo-1-(2-ethyl-4-methylphenyl)propan-1-one
CID 134624571
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-bromoethyl)-4-methylbenzene?
The IUPAC name of 1,2-bis(2-bromoethyl)-4-methylbenzene (CID 54559058) is 1,2-bis(2-bromoethyl)-4-methylbenzene.
What is the SMILES notation for 1,2-bis(2-bromoethyl)-4-methylbenzene?
The canonical SMILES for 1,2-bis(2-bromoethyl)-4-methylbenzene is Cc1ccc(CCBr)c(CCBr)c1.
What is the InChIKey of 1,2-bis(2-bromoethyl)-4-methylbenzene?
The InChIKey is ZPFXAZLWDJINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2/c1-9-2-3-10(4-6-12)11(8-9)5-7-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1,2-bis(2-bromoethyl)-4-methylbenzene?
1,2-bis(2-bromoethyl)-4-methylbenzene has a molecular weight of 306.04 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-bromoethyl)-4-methylbenzene is sourced from PubChem (CID 54559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).