[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene

C14H12BrCl — CID 101135261

IUPAC[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
SMILESCl[C@H](c1ccccc1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C14H12BrCl/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m0/s1
InChIKeyOKPMTEQLJZGUFR-UONOGXRCSA-N
MW295.61 g/mol
LogP5.10
Rot. Bonds3

About [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene

[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene (PubChem CID 101135261) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
PubChem CID101135261
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
SMILESCl[C@H](c1ccccc1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C14H12BrCl/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m0/s1
InChIKeyOKPMTEQLJZGUFR-UONOGXRCSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.61
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene?
The IUPAC name of [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene (CID 101135261) is [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene.
What is the SMILES notation for [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene?
The canonical SMILES for [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene is Cl[C@H](c1ccccc1)[C@@H](Br)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene?
The InChIKey is OKPMTEQLJZGUFR-UONOGXRCSA-N. The full InChI is InChI=1S/C14H12BrCl/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+/m0/s1.
What are the key properties of [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene?
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene has a molecular weight of 295.61 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene is sourced from PubChem (CID 101135261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).