1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene

C14H12Br2 — CID 97652

IUPAC1-bromo-2-[2-(2-bromophenyl)ethyl]benzene
SMILESC1=CC=C(C(=C1)CCC2=CC=CC=C2Br)Br
InChIInChI=1S/C14H12Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyCVGGCYQDKJYOCA-UHFFFAOYSA-N
MW340.05 g/mol
LogP5.50
Rot. Bonds3

About 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene

1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene (PubChem CID 97652) has the molecular formula C14H12Br2 and a molecular weight of 340.05 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-bromophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene
PubChem CID97652
Molecular FormulaC14H12Br2
Molecular Weight340.05 g/mol
Exact Mass339.93
IUPAC Name1-bromo-2-[2-(2-bromophenyl)ethyl]benzene
SMILESC1=CC=C(C(=C1)CCC2=CC=CC=C2Br)Br
InChIInChI=1S/C14H12Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyCVGGCYQDKJYOCA-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity183

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.05
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromotoluene
CID 7236
2,3,3',4,4',5'-Hexabromobiphenyl
CID 158629
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
3,5-Dibromobiphenyl
CID 3014933
2,2',4,4',6,6'-Hexabromobiphenyl
CID 93322
2,4,6-Tribromobiphenyl
CID 92358
2,6-Dibromobiphenyl
CID 181210
3,4-Dibromobiphenyl
CID 181262

Frequently Asked Questions

What is the IUPAC name of 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene?
The IUPAC name of 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene (CID 97652) is 1-bromo-2-[2-(2-bromophenyl)ethyl]benzene.
What is the SMILES notation for 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene?
The canonical SMILES for 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene is C1=CC=C(C(=C1)CCC2=CC=CC=C2Br)Br.
What is the InChIKey of 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene?
The InChIKey is CVGGCYQDKJYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2.
What are the key properties of 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene?
1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene has a molecular weight of 340.05 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Bromo-2-[2-(2-bromophenyl)ethyl]benzene is sourced from PubChem (CID 97652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).