1-(3-bromo-2-phenylpropyl)-2-chlorobenzene

C15H14BrCl — CID 66041463

IUPAC1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
SMILESClc1ccccc1CC(CBr)c1ccccc1
InChIInChI=1S/C15H14BrCl/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-9,14H,10-11H2
InChIKeyVRZQYGKBJBQSFQ-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.06
Rot. Bonds4

About 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene

1-(3-bromo-2-phenylpropyl)-2-chlorobenzene (PubChem CID 66041463) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
PubChem CID66041463
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
SMILESClc1ccccc1CC(CBr)c1ccccc1
InChIInChI=1S/C15H14BrCl/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-9,14H,10-11H2
InChIKeyVRZQYGKBJBQSFQ-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-(3-bromo-2-phenylpropyl)-2-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-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
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-phenylpropyl)-2-fluorobenzene
CID 66043262
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
CID 107310833
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-[3-(2-chlorophenyl)-2-phenylpropyl]imidazole
CID 71393269
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
3-(2-chlorophenyl)-2-phenylpropanenitrile
CID 82084814
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
CID 66042144

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene?
The IUPAC name of 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene (CID 66041463) is 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene.
What is the SMILES notation for 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene?
The canonical SMILES for 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene is Clc1ccccc1CC(CBr)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene?
The InChIKey is VRZQYGKBJBQSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-9,14H,10-11H2.
What are the key properties of 1-(3-bromo-2-phenylpropyl)-2-chlorobenzene?
1-(3-bromo-2-phenylpropyl)-2-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-(3-bromo-2-phenylpropyl)-2-chlorobenzene is sourced from PubChem (CID 66041463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).