(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one

C19H18Br2O — CID 132530978

IUPAC(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
SMILESC[C@@]1(Br)C(=O)[C@@](C)(Br)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H18Br2O/c1-18(20)15(13-9-5-3-6-10-13)16(19(2,21)17(18)22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-,18-,19-/m0/s1
InChIKeyVFUXSULLVYBQJO-CAMMJAKZSA-N
MW422.16 g/mol
LogP5.44
Rot. Bonds2

About (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one

(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one (PubChem CID 132530978) has the molecular formula C19H18Br2O and a molecular weight of 422.16 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
PubChem CID132530978
Molecular FormulaC19H18Br2O
Molecular Weight422.16 g/mol
Exact Mass419.97
IUPAC Name(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
SMILESC[C@@]1(Br)C(=O)[C@@](C)(Br)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H18Br2O/c1-18(20)15(13-9-5-3-6-10-13)16(19(2,21)17(18)22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-,18-,19-/m0/s1
InChIKeyVFUXSULLVYBQJO-CAMMJAKZSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.16
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one with MolForge

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Related Compounds

(2S,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
CID 102142694
[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
CID 13149947
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
[(1S,3R)-2,2-dibromo-3-propan-2-ylcyclopropyl]benzene
CID 23273168
(2-chloro-2,3-dimethylcyclopropyl)benzene
CID 589290
(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
CID 7347371
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
CID 130010020
2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one
CID 81422518
(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile
CID 138970589
N,2,2-trimethyl-3,4-diphenylcyclobutan-1-amine
CID 81422447

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
The IUPAC name of (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one (CID 132530978) is (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one.
What is the SMILES notation for (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
The canonical SMILES for (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one is C[C@@]1(Br)C(=O)[C@@](C)(Br)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
The InChIKey is VFUXSULLVYBQJO-CAMMJAKZSA-N. The full InChI is InChI=1S/C19H18Br2O/c1-18(20)15(13-9-5-3-6-10-13)16(19(2,21)17(18)22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-,18-,19-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one has a molecular weight of 422.16 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one is sourced from PubChem (CID 132530978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).