[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene

C17H16Br2 — CID 102136520

IUPAC[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
SMILESBrC1(Br)C[C@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H16Br2/c18-17(19)11-15(13-7-3-1-4-8-13)16(12-17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+
InChIKeyGNFHANPZPLNDLC-IYBDPMFKSA-N
MW380.12 g/mol
LogP5.83
Rot. Bonds2

About [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene

[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene (PubChem CID 102136520) has the molecular formula C17H16Br2 and a molecular weight of 380.12 g/mol. Its IUPAC name is [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
PubChem CID102136520
Molecular FormulaC17H16Br2
Molecular Weight380.12 g/mol
Exact Mass377.96
IUPAC Name[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
SMILESBrC1(Br)C[C@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H16Br2/c18-17(19)11-15(13-7-3-1-4-8-13)16(12-17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+
InChIKeyGNFHANPZPLNDLC-IYBDPMFKSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.83
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

[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
(1R,3S,4R)-3-phenylbicyclo[2.1.0]pentane-1-carboxylic acid
CID 170898169
[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
CID 13149947
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
(2-methylcyclopentyl)benzene
CID 12600454
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene?
The IUPAC name of [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene (CID 102136520) is [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene.
What is the SMILES notation for [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene?
The canonical SMILES for [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene is BrC1(Br)C[C@H](c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene?
The InChIKey is GNFHANPZPLNDLC-IYBDPMFKSA-N. The full InChI is InChI=1S/C17H16Br2/c18-17(19)11-15(13-7-3-1-4-8-13)16(12-17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+.
What are the key properties of [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene?
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene has a molecular weight of 380.12 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene is sourced from PubChem (CID 102136520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).