[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

C19H16Cl2O3 — CID 2386563

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESC[C@@]1(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C19H16Cl2O3/c1-18(12-19(18,20)21)17(23)24-16(14-10-6-3-7-11-14)15(22)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3/t16-,18+/m1/s1
InChIKeyGTGVWYSXYYMSIO-AEFFLSMTSA-N
MW363.24 g/mol
LogP4.74
Rot. Bonds5

About [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 2386563) has the molecular formula C19H16Cl2O3 and a molecular weight of 363.24 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID2386563
Molecular FormulaC19H16Cl2O3
Molecular Weight363.24 g/mol
Exact Mass362.05
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESC[C@@]1(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C19H16Cl2O3/c1-18(12-19(18,20)21)17(23)24-16(14-10-6-3-7-11-14)15(22)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3/t16-,18+/m1/s1
InChIKeyGTGVWYSXYYMSIO-AEFFLSMTSA-N
XLogP4.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-oxo-1,2-diphenylethyl) 2,2,2-trichloroacetate
CID 101263955
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 16588654
(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23769015
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 3-acetamidoadamantane-1-carboxylate
CID 4028003
[(1R)-2-oxo-1,2-diphenylethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 25337929
(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
CID 46552586
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 46789976
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 2386563) is [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is C[C@@]1(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is GTGVWYSXYYMSIO-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H16Cl2O3/c1-18(12-19(18,20)21)17(23)24-16(14-10-6-3-7-11-14)15(22)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3/t16-,18+/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 363.24 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 2386563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).