1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene

C18H12BrCl — CID 71132921

IUPAC1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
SMILESClc1ccc(-c2ccc(-c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C18H12BrCl/c19-17-3-1-2-16(12-17)15-6-4-13(5-7-15)14-8-10-18(20)11-9-14/h1-12H
InChIKeyBZWUIWSUKAGWDL-UHFFFAOYSA-N
MW343.65 g/mol
LogP6.44
Rot. Bonds2

About 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene

1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene (PubChem CID 71132921) has the molecular formula C18H12BrCl and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
PubChem CID71132921
Molecular FormulaC18H12BrCl
Molecular Weight343.65 g/mol
Exact Mass341.98
IUPAC Name1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
SMILESClc1ccc(-c2ccc(-c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C18H12BrCl/c19-17-3-1-2-16(12-17)15-6-4-13(5-7-15)14-8-10-18(20)11-9-14/h1-12H
InChIKeyBZWUIWSUKAGWDL-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.65
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
CID 57468750
1-bromo-3-phenylbenzene;ethane
CID 163977967
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene
CID 68581220
5-(3-bromophenyl)-2-fluorophenol
CID 115049622
5-(3-bromophenyl)-2-chloroaniline
CID 115503808
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
3-(4-chlorophenyl)phenol
CID 3015395

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene?
The IUPAC name of 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene (CID 71132921) is 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene?
The canonical SMILES for 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene is Clc1ccc(-c2ccc(-c3cccc(Br)c3)cc2)cc1.
What is the InChIKey of 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene?
The InChIKey is BZWUIWSUKAGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl/c19-17-3-1-2-16(12-17)15-6-4-13(5-7-15)14-8-10-18(20)11-9-14/h1-12H.
What are the key properties of 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene?
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene has a molecular weight of 343.65 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene is sourced from PubChem (CID 71132921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).