(2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one

C19H15ClO3 — CID 54671650

IUPAC(2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C19H15ClO3/c20-15-8-6-13(7-9-15)16(18-10-11-19(22)23-18)12-17(21)14-4-2-1-3-5-14/h1-11,16,18H,12H2/t16-,18-/m0/s1
InChIKeyKIAFIEZZHZSGGL-WMZOPIPTSA-N
MW326.78 g/mol
LogP4.18
Rot. Bonds5

About (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one

(2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one (PubChem CID 54671650) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
PubChem CID54671650
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name(2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C19H15ClO3/c20-15-8-6-13(7-9-15)16(18-10-11-19(22)23-18)12-17(21)14-4-2-1-3-5-14/h1-11,16,18H,12H2/t16-,18-/m0/s1
InChIKeyKIAFIEZZHZSGGL-WMZOPIPTSA-N
XLogP4.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
CID 54671653
4-[(1S)-3-oxo-1-[(2S)-5-oxo-2H-furan-2-yl]-3-phenylpropyl]benzonitrile
CID 54671655
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(3R)-N,N-dimethyl-3-[(2S)-5-oxo-2H-furan-2-yl]-3-phenylpropanethioamide
CID 102137996
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093
[(2R,3R)-2,3-dihydroxy-3-[(2R)-5-oxo-2H-furan-2-yl]propyl] benzoate
CID 46189048
5-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3834503
4-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione
CID 10693298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one (CID 54671650) is (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)O1.
What is the InChIKey of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
The InChIKey is KIAFIEZZHZSGGL-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H15ClO3/c20-15-8-6-13(7-9-15)16(18-10-11-19(22)23-18)12-17(21)14-4-2-1-3-5-14/h1-11,16,18H,12H2/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one?
(2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one has a molecular weight of 326.78 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one is sourced from PubChem (CID 54671650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).