1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene

C15H14Br2 — CID 11110991

IUPAC1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
SMILESBrCc1ccccc1Cc1ccccc1CBr
InChIInChI=1S/C15H14Br2/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)11-17/h1-8H,9-11H2
InChIKeyJLAPNUNUCLRGDJ-UHFFFAOYSA-N
MW354.09 g/mol
LogP5.07
Rot. Bonds4

About 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene

1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene (PubChem CID 11110991) has the molecular formula C15H14Br2 and a molecular weight of 354.09 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
PubChem CID11110991
Molecular FormulaC15H14Br2
Molecular Weight354.09 g/mol
Exact Mass351.95
IUPAC Name1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
SMILESBrCc1ccccc1Cc1ccccc1CBr
InChIInChI=1S/C15H14Br2/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)11-17/h1-8H,9-11H2
InChIKeyJLAPNUNUCLRGDJ-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene?
The IUPAC name of 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene (CID 11110991) is 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene is BrCc1ccccc1Cc1ccccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene?
The InChIKey is JLAPNUNUCLRGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)11-17/h1-8H,9-11H2.
What are the key properties of 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene?
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene has a molecular weight of 354.09 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene is sourced from PubChem (CID 11110991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).