1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene

C13H16Br2 — CID 83150733

IUPAC1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
SMILESCC(C(Br)Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C13H16Br2/c1-9(11-4-5-11)13(15)8-10-2-6-12(14)7-3-10/h2-3,6-7,9,11,13H,4-5,8H2,1H3
InChIKeyAZWBIDXVPUEJSI-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.80
Rot. Bonds4

About 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene

1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene (PubChem CID 83150733) has the molecular formula C13H16Br2 and a molecular weight of 332.08 g/mol. Its IUPAC name is 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
PubChem CID83150733
Molecular FormulaC13H16Br2
Molecular Weight332.08 g/mol
Exact Mass329.96
IUPAC Name1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
SMILESCC(C(Br)Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C13H16Br2/c1-9(11-4-5-11)13(15)8-10-2-6-12(14)7-3-10/h2-3,6-7,9,11,13H,4-5,8H2,1H3
InChIKeyAZWBIDXVPUEJSI-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.80
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-bromo-3-cyclopropylbutyl)-4-chlorobenzene
CID 83151006
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
CID 104819632
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
CID 113460202
1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
CID 63542059
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene?
The IUPAC name of 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene (CID 83150733) is 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene?
The canonical SMILES for 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene is CC(C(Br)Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene?
The InChIKey is AZWBIDXVPUEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2/c1-9(11-4-5-11)13(15)8-10-2-6-12(14)7-3-10/h2-3,6-7,9,11,13H,4-5,8H2,1H3.
What are the key properties of 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene?
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene has a molecular weight of 332.08 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene is sourced from PubChem (CID 83150733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).