[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene

C15H13Br — CID 135038673

IUPAC[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
SMILESBrC1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C15H13Br/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-15H/t13-,14-/m1/s1
InChIKeySCDMCLGPCYOQMQ-ZIAGYGMSSA-N
MW273.17 g/mol
LogP4.33
Rot. Bonds2

About [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene

[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene (PubChem CID 135038673) has the molecular formula C15H13Br and a molecular weight of 273.17 g/mol. Its IUPAC name is [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
PubChem CID135038673
Molecular FormulaC15H13Br
Molecular Weight273.17 g/mol
Exact Mass272.02
IUPAC Name[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
SMILESBrC1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C15H13Br/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-15H/t13-,14-/m1/s1
InChIKeySCDMCLGPCYOQMQ-ZIAGYGMSSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.33
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

5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene
CID 67143364
2,3-diphenylcyclopropan-1-ol
CID 15400659
2-bromo-1-(2-bromo-3-phenylcyclopropyl)ethanone
CID 10958112
2-bromo-1-[(1S,2R,3S)-2-bromo-3-phenylcyclopropyl]ethanone
CID 10567530
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
trans-(2R,3R)-2,3-diphenylcyclopropane-1-diazonium
CID 10106251
trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
CID 134994236
diphenyliodanium;hydroiodide
CID 54604341
1-methyl-4-[2-(1-methylpyridin-1-ium-4-yl)-3-phenylcyclopropyl]pyridin-1-ium
CID 20677988
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene?
The IUPAC name of [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene (CID 135038673) is [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene.
What is the SMILES notation for [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene?
The canonical SMILES for [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene is BrC1[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene?
The InChIKey is SCDMCLGPCYOQMQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H13Br/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-15H/t13-,14-/m1/s1.
What are the key properties of [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene?
[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene has a molecular weight of 273.17 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene is sourced from PubChem (CID 135038673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).