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

C12H14Br2 — CID 104819632

IUPAC1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
SMILESBrCC(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H14Br2/c13-8-11(10-3-4-10)7-9-1-5-12(14)6-2-9/h1-2,5-6,10-11H,3-4,7-8H2
InChIKeyOTQWDUJCLVBUFC-UHFFFAOYSA-N
MW318.05 g/mol
LogP4.41
Rot. Bonds4

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

1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene (PubChem CID 104819632) has the molecular formula C12H14Br2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
PubChem CID104819632
Molecular FormulaC12H14Br2
Molecular Weight318.05 g/mol
Exact Mass315.95
IUPAC Name1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
SMILESBrCC(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H14Br2/c13-8-11(10-3-4-10)7-9-1-5-12(14)6-2-9/h1-2,5-6,10-11H,3-4,7-8H2
InChIKeyOTQWDUJCLVBUFC-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.05
LogP ≤ 54.41
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-(3-bromo-2-cyclopropylpropyl)-4-methylbenzene
CID 104819629
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
[1-bromo-3-(4-methylphenyl)propan-2-yl]cycloheptane
CID 82946366
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
1-(3-bromo-2-cyclopropylpropyl)-3-methylbenzene
CID 104819634
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
CID 83150733
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
4-[2-(bromomethyl)-3-(4-bromophenyl)propyl]oxane
CID 66041693
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
2-(4-bromophenyl)-1-piperidin-4-ylethanol
CID 79016497

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene?
The IUPAC name of 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene (CID 104819632) is 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene?
The canonical SMILES for 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene is BrCC(Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene?
The InChIKey is OTQWDUJCLVBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2/c13-8-11(10-3-4-10)7-9-1-5-12(14)6-2-9/h1-2,5-6,10-11H,3-4,7-8H2.
What are the key properties of 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene?
1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene has a molecular weight of 318.05 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene is sourced from PubChem (CID 104819632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).