[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene

C14H12Br2 — CID 10969851

IUPAC[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
SMILESBr[C@@H](c1ccccc1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C14H12Br2/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
InChIKeyGKESIQQTGWVOLH-KBPBESRZSA-N
MW340.06 g/mol
LogP5.26
Rot. Bonds3

About [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene

[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene (PubChem CID 10969851) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene.

Molecular Properties

Compound Name[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
PubChem CID10969851
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
SMILESBr[C@@H](c1ccccc1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C14H12Br2/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
InChIKeyGKESIQQTGWVOLH-KBPBESRZSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.26
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

[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
CID 101135261
4-(1,2-dibromo-2-phenylethyl)benzonitrile
CID 13431601
1-bromo-1-phenylpropan-2-amine
CID 12709385
[(1R)-1-bromo-2,2-dimethoxyethyl]benzene
CID 129364228
(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
CID 11300855
[1,2-dibromo-3-(2,3-dibromo-3-phenylpropoxy)propyl]benzene
CID 174279741
3-bromo-2,3-diphenylpropanenitrile
CID 14451941
1-bromoethylbenzene
CID 11454
(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide
CID 134937081
(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
CID 10988050
bromo(phenyl)methanamine;hydroiodide
CID 175393432

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene?
The IUPAC name of [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene (CID 10969851) is [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene.
What is the SMILES notation for [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene?
The canonical SMILES for [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene is Br[C@@H](c1ccccc1)[C@@H](Br)c1ccccc1.
What is the InChIKey of [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene?
The InChIKey is GKESIQQTGWVOLH-KBPBESRZSA-N. The full InChI is InChI=1S/C14H12Br2/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,2S)-1,2-dibromo-2-phenylethyl]benzene?
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene has a molecular weight of 340.06 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1,2-dibromo-2-phenylethyl]benzene is sourced from PubChem (CID 10969851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).