1-bromo-2-phenylbenzene

C12H9Br — CID 16329

IUPAC1-bromo-2-phenylbenzene
SMILESBrc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyKTADSLDAUJLZGL-UHFFFAOYSA-N
MW233.11 g/mol
LogP4.12
Rot. Bonds1

About 1-bromo-2-phenylbenzene

1-bromo-2-phenylbenzene (PubChem CID 16329) has the molecular formula C12H9Br and a molecular weight of 233.11 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene
PubChem CID16329
Molecular FormulaC12H9Br
Molecular Weight233.11 g/mol
Exact Mass231.99
IUPAC Name1-bromo-2-phenylbenzene
SMILESBrc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyKTADSLDAUJLZGL-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene?
The IUPAC name of 1-bromo-2-phenylbenzene (CID 16329) is 1-bromo-2-phenylbenzene.
What is the SMILES notation for 1-bromo-2-phenylbenzene?
The canonical SMILES for 1-bromo-2-phenylbenzene is Brc1ccccc1-c1ccccc1.
What is the InChIKey of 1-bromo-2-phenylbenzene?
The InChIKey is KTADSLDAUJLZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-bromo-2-phenylbenzene?
1-bromo-2-phenylbenzene has a molecular weight of 233.11 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene is sourced from PubChem (CID 16329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).