1-benzyl-2-bromobenzene

C13H11Br — CID 13061

IUPAC1-benzyl-2-bromobenzene
SMILESBrc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDLCYFIIONMLNAJ-UHFFFAOYSA-N
MW247.14 g/mol
LogP4.04
Rot. Bonds2

About 1-benzyl-2-bromobenzene

1-benzyl-2-bromobenzene (PubChem CID 13061) has the molecular formula C13H11Br and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-benzyl-2-bromobenzene.

Molecular Properties

Compound Name1-benzyl-2-bromobenzene
PubChem CID13061
Molecular FormulaC13H11Br
Molecular Weight247.14 g/mol
Exact Mass246.00
IUPAC Name1-benzyl-2-bromobenzene
SMILESBrc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDLCYFIIONMLNAJ-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-bromobenzene?
The IUPAC name of 1-benzyl-2-bromobenzene (CID 13061) is 1-benzyl-2-bromobenzene.
What is the SMILES notation for 1-benzyl-2-bromobenzene?
The canonical SMILES for 1-benzyl-2-bromobenzene is Brc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-bromobenzene?
The InChIKey is DLCYFIIONMLNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-benzyl-2-bromobenzene?
1-benzyl-2-bromobenzene has a molecular weight of 247.14 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-bromobenzene is sourced from PubChem (CID 13061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).