1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene

C15H13BrCl2 — CID 79434869

IUPAC1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
SMILESClCC(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2/c16-14-5-3-12(4-6-14)13(10-17)9-11-1-7-15(18)8-2-11/h1-8,13H,9-10H2
InChIKeyUIUWQOIKVHDJSH-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.67
Rot. Bonds4

About 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene

1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene (PubChem CID 79434869) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
PubChem CID79434869
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
SMILESClCC(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2/c16-14-5-3-12(4-6-14)13(10-17)9-11-1-7-15(18)8-2-11/h1-8,13H,9-10H2
InChIKeyUIUWQOIKVHDJSH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 55.67
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

1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79433390
1-chloro-4-(1,3-dichloropropan-2-yl)benzene
CID 79452794
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
2-[2-(4-bromophenyl)-3-chloropropyl]-4-chloro-1-methoxybenzene
CID 79434460
1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79436182
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
1-bromo-4-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]benzene
CID 79434768
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
4-bromo-2-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79434241

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene (CID 79434869) is 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene is ClCC(Cc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene?
The InChIKey is UIUWQOIKVHDJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c16-14-5-3-12(4-6-14)13(10-17)9-11-1-7-15(18)8-2-11/h1-8,13H,9-10H2.
What are the key properties of 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene?
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene has a molecular weight of 344.08 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene is sourced from PubChem (CID 79434869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).