1,1'-biphenyl;bromomethylbenzene

C19H17Br — CID 18398670

IUPAC1,1'-biphenyl;bromomethylbenzene
SMILESBrCc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H7Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2
InChIKeyRXKZVEDIOCEXPV-UHFFFAOYSA-N
MW325.25 g/mol
LogP5.94
Rot. Bonds2

About 1,1'-biphenyl;bromomethylbenzene

1,1'-biphenyl;bromomethylbenzene (PubChem CID 18398670) has the molecular formula C19H17Br and a molecular weight of 325.25 g/mol. Its IUPAC name is 1,1'-biphenyl;bromomethylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;bromomethylbenzene
PubChem CID18398670
Molecular FormulaC19H17Br
Molecular Weight325.25 g/mol
Exact Mass324.05
IUPAC Name1,1'-biphenyl;bromomethylbenzene
SMILESBrCc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H7Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2
InChIKeyRXKZVEDIOCEXPV-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 55.94
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 1,1'-biphenyl;bromomethylbenzene?
The IUPAC name of 1,1'-biphenyl;bromomethylbenzene (CID 18398670) is 1,1'-biphenyl;bromomethylbenzene.
What is the SMILES notation for 1,1'-biphenyl;bromomethylbenzene?
The canonical SMILES for 1,1'-biphenyl;bromomethylbenzene is BrCc1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;bromomethylbenzene?
The InChIKey is RXKZVEDIOCEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H7Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2.
What are the key properties of 1,1'-biphenyl;bromomethylbenzene?
1,1'-biphenyl;bromomethylbenzene has a molecular weight of 325.25 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;bromomethylbenzene is sourced from PubChem (CID 18398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).