[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene

C15H12Br2 — CID 13149947

IUPAC[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
SMILESBrC1(Br)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H12Br2/c16-15(17)13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyPXSQEICOMZUJBY-KBPBESRZSA-N
MW352.07 g/mol
LogP5.05
Rot. Bonds2

About [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene

[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene (PubChem CID 13149947) has the molecular formula C15H12Br2 and a molecular weight of 352.07 g/mol. Its IUPAC name is [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
PubChem CID13149947
Molecular FormulaC15H12Br2
Molecular Weight352.07 g/mol
Exact Mass349.93
IUPAC Name[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
SMILESBrC1(Br)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H12Br2/c16-15(17)13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyPXSQEICOMZUJBY-KBPBESRZSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.07
LogP ≤ 55.05
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

[(1S,3R)-2,2-dibromo-3-propan-2-ylcyclopropyl]benzene
CID 23273168
(2,2-dibromo-3-cyclohexa-1,5-dien-1-ylcyclopropyl)benzene;ethane
CID 144612266
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
N,2,2-trimethyl-3,4-diphenylcyclobutan-1-amine
CID 81422447
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
1-(2,2-dibromo-3-phenylcyclopropyl)tellanylnaphthalene
CID 10324698
(2-chloro-2,3-dimethylcyclopropyl)benzene
CID 589290
3,3-dibromo-6-phenylcyclohexa-1,4-diene
CID 67389672
(4-bromophenyl)-phenyliodanium
CID 6332504
1-[(1S,3R)-2,2-dibromo-3-phenylselanylcyclopropyl]-4-methylbenzene
CID 139053399

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene?
The IUPAC name of [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene (CID 13149947) is [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene.
What is the SMILES notation for [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene?
The canonical SMILES for [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene is BrC1(Br)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene?
The InChIKey is PXSQEICOMZUJBY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H12Br2/c16-15(17)13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1.
What are the key properties of [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene?
[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene has a molecular weight of 352.07 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene is sourced from PubChem (CID 13149947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).