1-bromo-3-(2-bromo-1-phenylethyl)benzene

C14H12Br2 — CID 151109917

IUPAC1-bromo-3-(2-bromo-1-phenylethyl)benzene
SMILESBrCC(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2/c15-10-14(11-5-2-1-3-6-11)12-7-4-8-13(16)9-12/h1-9,14H,10H2
InChIKeyMPXGKTGCUACMJN-UHFFFAOYSA-N
MW340.06 g/mol
LogP4.98
Rot. Bonds3

About 1-bromo-3-(2-bromo-1-phenylethyl)benzene

1-bromo-3-(2-bromo-1-phenylethyl)benzene (PubChem CID 151109917) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-bromo-3-(2-bromo-1-phenylethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-bromo-1-phenylethyl)benzene
PubChem CID151109917
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-bromo-3-(2-bromo-1-phenylethyl)benzene
SMILESBrCC(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2/c15-10-14(11-5-2-1-3-6-11)12-7-4-8-13(16)9-12/h1-9,14H,10H2
InChIKeyMPXGKTGCUACMJN-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-2-phenylethanol
CID 118542656
1-bromo-3-(1,2-dibromoethyl)benzene
CID 139746673
methyl 3-(3-bromophenyl)-3-phenylpropanoate
CID 166079744
4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
CID 66666079
1-bromo-3-(1-bromo-3-phenylmethoxypropan-2-yl)benzene
CID 102940998
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-bromo-3-[phenyl(thionitroso)methyl]benzene
CID 89290809
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
1-bromo-3-(1-chloro-2-phenylpropyl)benzene
CID 91188236
3-bromo-3-(3-bromophenyl)propanoic acid
CID 11150960

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-bromo-1-phenylethyl)benzene?
The IUPAC name of 1-bromo-3-(2-bromo-1-phenylethyl)benzene (CID 151109917) is 1-bromo-3-(2-bromo-1-phenylethyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-bromo-1-phenylethyl)benzene?
The canonical SMILES for 1-bromo-3-(2-bromo-1-phenylethyl)benzene is BrCC(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-bromo-1-phenylethyl)benzene?
The InChIKey is MPXGKTGCUACMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-10-14(11-5-2-1-3-6-11)12-7-4-8-13(16)9-12/h1-9,14H,10H2.
What are the key properties of 1-bromo-3-(2-bromo-1-phenylethyl)benzene?
1-bromo-3-(2-bromo-1-phenylethyl)benzene has a molecular weight of 340.06 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-bromo-1-phenylethyl)benzene is sourced from PubChem (CID 151109917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).