1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene

C15H14BrCl — CID 79434100

IUPAC1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
SMILESClc1ccc(C(CBr)Cc2ccccc2)cc1
InChIInChI=1S/C15H14BrCl/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(17)9-7-13/h1-9,14H,10-11H2
InChIKeyHETURFJUKUFQBZ-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene

1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene (PubChem CID 79434100) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
PubChem CID79434100
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
SMILESClc1ccc(C(CBr)Cc2ccccc2)cc1
InChIInChI=1S/C15H14BrCl/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(17)9-7-13/h1-9,14H,10-11H2
InChIKeyHETURFJUKUFQBZ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
CID 79433622
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-bromo-2-[1-bromo-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79454411
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene?
The IUPAC name of 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene (CID 79434100) is 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene?
The canonical SMILES for 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene is Clc1ccc(C(CBr)Cc2ccccc2)cc1.
What is the InChIKey of 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene?
The InChIKey is HETURFJUKUFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(17)9-7-13/h1-9,14H,10-11H2.
What are the key properties of 1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene?
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene has a molecular weight of 309.63 g/mol, XLogP of 5.06, 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-phenylpropan-2-yl)-4-chlorobenzene is sourced from PubChem (CID 79434100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).