1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene

C11H14Br2 — CID 83921853

IUPAC1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene
SMILESCc1cc(Br)c(CCCBr)cc1C
InChIInChI=1S/C11H14Br2/c1-8-6-10(4-3-5-12)11(13)7-9(8)2/h6-7H,3-5H2,1-2H3
InChIKeyMQQFUNIJKJRRTD-UHFFFAOYSA-N
MW306.04 g/mol
LogP4.39
Rot. Bonds3

About 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene

1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene (PubChem CID 83921853) has the molecular formula C11H14Br2 and a molecular weight of 306.04 g/mol. Its IUPAC name is 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene
PubChem CID83921853
Molecular FormulaC11H14Br2
Molecular Weight306.04 g/mol
Exact Mass303.95
IUPAC Name1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene
SMILESCc1cc(Br)c(CCCBr)cc1C
InChIInChI=1S/C11H14Br2/c1-8-6-10(4-3-5-12)11(13)7-9(8)2/h6-7H,3-5H2,1-2H3
InChIKeyMQQFUNIJKJRRTD-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
LogP ≤ 54.39
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-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine
CID 83921907
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
5-bromo-4-butyl-2-methylaniline
CID 130538000
(2-bromo-4,5-dimethylphenyl)methanamine
CID 82627715
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640
2-bromo-1-(3-bromopropyl)-4-fluorobenzene
CID 62604582
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
4-bromo-3-(3-bromopropyl)benzenethiol
CID 118817232
1,5-dibromo-2-methyl-4-propylbenzene
CID 91476014

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene (CID 83921853) is 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene is Cc1cc(Br)c(CCCBr)cc1C.
What is the InChIKey of 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene?
The InChIKey is MQQFUNIJKJRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2/c1-8-6-10(4-3-5-12)11(13)7-9(8)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene?
1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene has a molecular weight of 306.04 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene is sourced from PubChem (CID 83921853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).