1-bromo-4-(3-bromo-3-phenylpropyl)benzene

C15H14Br2 — CID 63471599

IUPAC1-bromo-4-(3-bromo-3-phenylpropyl)benzene
SMILESBrc1ccc(CCC(Br)c2ccccc2)cc1
InChIInChI=1S/C15H14Br2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11H2
InChIKeyRZRVVEITZAFOMX-UHFFFAOYSA-N
MW354.09 g/mol
LogP5.52
Rot. Bonds4

About 1-bromo-4-(3-bromo-3-phenylpropyl)benzene

1-bromo-4-(3-bromo-3-phenylpropyl)benzene (PubChem CID 63471599) has the molecular formula C15H14Br2 and a molecular weight of 354.09 g/mol. Its IUPAC name is 1-bromo-4-(3-bromo-3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromo-3-phenylpropyl)benzene
PubChem CID63471599
Molecular FormulaC15H14Br2
Molecular Weight354.09 g/mol
Exact Mass351.95
IUPAC Name1-bromo-4-(3-bromo-3-phenylpropyl)benzene
SMILESBrc1ccc(CCC(Br)c2ccccc2)cc1
InChIInChI=1S/C15H14Br2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11H2
InChIKeyRZRVVEITZAFOMX-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.09
LogP ≤ 55.52
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-3-phenylpropyl)-4-iodobenzene
CID 65476727
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
CID 63472364
1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
CID 144705037
5-(3-bromo-3-phenylpropyl)pyrimidine
CID 64507442
2-bromo-4-(4-bromophenyl)butanoic acid
CID 84604623
benzhydryl 4-(4-bromophenyl)-2-hydroxybutanoate
CID 129250544
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
CID 113460202
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromo-3-phenylpropyl)benzene?
The IUPAC name of 1-bromo-4-(3-bromo-3-phenylpropyl)benzene (CID 63471599) is 1-bromo-4-(3-bromo-3-phenylpropyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromo-3-phenylpropyl)benzene?
The canonical SMILES for 1-bromo-4-(3-bromo-3-phenylpropyl)benzene is Brc1ccc(CCC(Br)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(3-bromo-3-phenylpropyl)benzene?
The InChIKey is RZRVVEITZAFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11H2.
What are the key properties of 1-bromo-4-(3-bromo-3-phenylpropyl)benzene?
1-bromo-4-(3-bromo-3-phenylpropyl)benzene has a molecular weight of 354.09 g/mol, XLogP of 5.52, 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-3-phenylpropyl)benzene is sourced from PubChem (CID 63471599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).