1-(bromomethyl)-3-(2-phenylphenyl)benzene

C19H15Br — CID 67009845

IUPAC1-(bromomethyl)-3-(2-phenylphenyl)benzene
SMILESBrCc1cccc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C19H15Br/c20-14-15-7-6-10-17(13-15)19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyQZVWUJIZMHLBCT-UHFFFAOYSA-N
MW323.23 g/mol
LogP5.92
Rot. Bonds3

About 1-(bromomethyl)-3-(2-phenylphenyl)benzene

1-(bromomethyl)-3-(2-phenylphenyl)benzene (PubChem CID 67009845) has the molecular formula C19H15Br and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(bromomethyl)-3-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-(2-phenylphenyl)benzene
PubChem CID67009845
Molecular FormulaC19H15Br
Molecular Weight323.23 g/mol
Exact Mass322.04
IUPAC Name1-(bromomethyl)-3-(2-phenylphenyl)benzene
SMILESBrCc1cccc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C19H15Br/c20-14-15-7-6-10-17(13-15)19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyQZVWUJIZMHLBCT-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.23
LogP ≤ 55.92
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)-3-(2-phenylphenyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-(2-phenylphenyl)benzene (CID 67009845) is 1-(bromomethyl)-3-(2-phenylphenyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-(2-phenylphenyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-(2-phenylphenyl)benzene is BrCc1cccc(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 1-(bromomethyl)-3-(2-phenylphenyl)benzene?
The InChIKey is QZVWUJIZMHLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br/c20-14-15-7-6-10-17(13-15)19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2.
What are the key properties of 1-(bromomethyl)-3-(2-phenylphenyl)benzene?
1-(bromomethyl)-3-(2-phenylphenyl)benzene has a molecular weight of 323.23 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-(2-phenylphenyl)benzene is sourced from PubChem (CID 67009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).