1-bromo-4-(2-bromopropyl)benzene

C9H10Br2 — CID 63017795

IUPAC1-bromo-4-(2-bromopropyl)benzene
SMILESCC(Br)Cc1ccc(Br)cc1
InChIInChI=1S/C9H10Br2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeyDXCLNLVAALGFMZ-UHFFFAOYSA-N
MW277.99 g/mol
LogP3.78
Rot. Bonds2

About 1-bromo-4-(2-bromopropyl)benzene

1-bromo-4-(2-bromopropyl)benzene (PubChem CID 63017795) has the molecular formula C9H10Br2 and a molecular weight of 277.99 g/mol. Its IUPAC name is 1-bromo-4-(2-bromopropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-bromopropyl)benzene
PubChem CID63017795
Molecular FormulaC9H10Br2
Molecular Weight277.99 g/mol
Exact Mass275.91
IUPAC Name1-bromo-4-(2-bromopropyl)benzene
SMILESCC(Br)Cc1ccc(Br)cc1
InChIInChI=1S/C9H10Br2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeyDXCLNLVAALGFMZ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
1-bromo-4-(2-bromo-4,5,5-trimethylhexyl)benzene
CID 63834724
1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
CID 113460202
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
CID 83150733
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
1-bromo-4-(2-chlorobutyl)benzene
CID 18417634
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-bromopropyl)benzene?
The IUPAC name of 1-bromo-4-(2-bromopropyl)benzene (CID 63017795) is 1-bromo-4-(2-bromopropyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-bromopropyl)benzene?
The canonical SMILES for 1-bromo-4-(2-bromopropyl)benzene is CC(Br)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-bromopropyl)benzene?
The InChIKey is DXCLNLVAALGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-bromo-4-(2-bromopropyl)benzene?
1-bromo-4-(2-bromopropyl)benzene has a molecular weight of 277.99 g/mol, XLogP of 3.78, 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-bromopropyl)benzene is sourced from PubChem (CID 63017795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).