1-benzyl-4-bromo-2-(bromomethyl)benzene

C14H12Br2 — CID 54290148

IUPAC1-benzyl-4-bromo-2-(bromomethyl)benzene
SMILESBrCc1cc(Br)ccc1Cc1ccccc1
InChIInChI=1S/C14H12Br2/c15-10-13-9-14(16)7-6-12(13)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeySPOIRQSFNVDKEC-UHFFFAOYSA-N
MW340.06 g/mol
LogP4.93
Rot. Bonds3

About 1-benzyl-4-bromo-2-(bromomethyl)benzene

1-benzyl-4-bromo-2-(bromomethyl)benzene (PubChem CID 54290148) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-benzyl-4-bromo-2-(bromomethyl)benzene.

Molecular Properties

Compound Name1-benzyl-4-bromo-2-(bromomethyl)benzene
PubChem CID54290148
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-benzyl-4-bromo-2-(bromomethyl)benzene
SMILESBrCc1cc(Br)ccc1Cc1ccccc1
InChIInChI=1S/C14H12Br2/c15-10-13-9-14(16)7-6-12(13)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeySPOIRQSFNVDKEC-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 54.93
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-benzyl-4-bromo-2-(bromomethyl)benzene?
The IUPAC name of 1-benzyl-4-bromo-2-(bromomethyl)benzene (CID 54290148) is 1-benzyl-4-bromo-2-(bromomethyl)benzene.
What is the SMILES notation for 1-benzyl-4-bromo-2-(bromomethyl)benzene?
The canonical SMILES for 1-benzyl-4-bromo-2-(bromomethyl)benzene is BrCc1cc(Br)ccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-bromo-2-(bromomethyl)benzene?
The InChIKey is SPOIRQSFNVDKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-10-13-9-14(16)7-6-12(13)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 1-benzyl-4-bromo-2-(bromomethyl)benzene?
1-benzyl-4-bromo-2-(bromomethyl)benzene has a molecular weight of 340.06 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-bromo-2-(bromomethyl)benzene is sourced from PubChem (CID 54290148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).