1-bromo-3-chloro-2-(3-ethylphenyl)benzene

C14H12BrCl — CID 52988182

IUPAC1-bromo-3-chloro-2-(3-ethylphenyl)benzene
SMILESCCc1cccc(-c2c(Cl)cccc2Br)c1
InChIInChI=1S/C14H12BrCl/c1-2-10-5-3-6-11(9-10)14-12(15)7-4-8-13(14)16/h3-9H,2H2,1H3
InChIKeyWHZPNAMKTKEGRN-UHFFFAOYSA-N
MW295.61 g/mol
LogP5.33
Rot. Bonds2

About 1-bromo-3-chloro-2-(3-ethylphenyl)benzene

1-bromo-3-chloro-2-(3-ethylphenyl)benzene (PubChem CID 52988182) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-(3-ethylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-(3-ethylphenyl)benzene
PubChem CID52988182
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name1-bromo-3-chloro-2-(3-ethylphenyl)benzene
SMILESCCc1cccc(-c2c(Cl)cccc2Br)c1
InChIInChI=1S/C14H12BrCl/c1-2-10-5-3-6-11(9-10)14-12(15)7-4-8-13(14)16/h3-9H,2H2,1H3
InChIKeyWHZPNAMKTKEGRN-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.61
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-chloro-2-(3-chlorophenyl)benzene
CID 57354961
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411
2-(2-bromo-6-chlorophenyl)-6-phenylnaphthalene
CID 177097158
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol
CID 68519197
2,3,5-trichloro-6-(3-ethylphenyl)pyridine
CID 102752691
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-bromo-2-(2-bromophenyl)-3-chlorobenzene
CID 67154117
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine
CID 114269085

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-(3-ethylphenyl)benzene?
The IUPAC name of 1-bromo-3-chloro-2-(3-ethylphenyl)benzene (CID 52988182) is 1-bromo-3-chloro-2-(3-ethylphenyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-2-(3-ethylphenyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-2-(3-ethylphenyl)benzene is CCc1cccc(-c2c(Cl)cccc2Br)c1.
What is the InChIKey of 1-bromo-3-chloro-2-(3-ethylphenyl)benzene?
The InChIKey is WHZPNAMKTKEGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c1-2-10-5-3-6-11(9-10)14-12(15)7-4-8-13(14)16/h3-9H,2H2,1H3.
What are the key properties of 1-bromo-3-chloro-2-(3-ethylphenyl)benzene?
1-bromo-3-chloro-2-(3-ethylphenyl)benzene has a molecular weight of 295.61 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-(3-ethylphenyl)benzene is sourced from PubChem (CID 52988182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).