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

C15H13BrCl2 — CID 79434327

IUPAC1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
SMILESClc1ccc(C(CBr)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H13BrCl2/c16-10-13(11-5-7-14(17)8-6-11)9-12-3-1-2-4-15(12)18/h1-8,13H,9-10H2
InChIKeyHDSPUCKOMNHIAW-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.71
Rot. Bonds4

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

1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene (PubChem CID 79434327) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
PubChem CID79434327
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
SMILESClc1ccc(C(CBr)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H13BrCl2/c16-10-13(11-5-7-14(17)8-6-11)9-12-3-1-2-4-15(12)18/h1-8,13H,9-10H2
InChIKeyHDSPUCKOMNHIAW-UHFFFAOYSA-N
XLogP5.71
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 ≤ 55.71
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-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435232
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene?
The IUPAC name of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene (CID 79434327) is 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene?
The canonical SMILES for 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene is Clc1ccc(C(CBr)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene?
The InChIKey is HDSPUCKOMNHIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c16-10-13(11-5-7-14(17)8-6-11)9-12-3-1-2-4-15(12)18/h1-8,13H,9-10H2.
What are the key properties of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene?
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene has a molecular weight of 344.08 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene is sourced from PubChem (CID 79434327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).