(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one

C23H18O3 — CID 101447740

IUPAC(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@@](C(=O)c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C23H18O3/c24-21-16-20(17-10-4-1-5-11-17)23(26-21,19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15,20H,16H2/t20-,23-/m1/s1
InChIKeyGUJPJRZANAUGIJ-NFBKMPQASA-N
MW342.39 g/mol
LogP4.50
Rot. Bonds4

About (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one

(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one (PubChem CID 101447740) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
PubChem CID101447740
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@@](C(=O)c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C23H18O3/c24-21-16-20(17-10-4-1-5-11-17)23(26-21,19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15,20H,16H2/t20-,23-/m1/s1
InChIKeyGUJPJRZANAUGIJ-NFBKMPQASA-N
XLogP4.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-(4-fluorobenzoyl)-5-(4-fluorophenyl)-4-phenyloxolan-2-one
CID 102138938
(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
CID 19878484
methyl 4-[(2R,3S,5S)-5-hydroxy-2-(4-methoxycarbonylphenyl)-3-phenyloxolane-2-carbonyl]benzoate
CID 102258342
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 102284704
phenyl-(2-phenylaziridin-2-yl)methanone
CID 141297159
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
[(2R,3S)-3-azido-2-phenyloxan-2-yl]-phenylmethanone
CID 139185418
(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one
CID 118886955
(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 15259021
(1S,5R,6S)-1-benzoyl-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 122391970
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one?
The IUPAC name of (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one (CID 101447740) is (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one is O=C1C[C@H](c2ccccc2)[C@@](C(=O)c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one?
The InChIKey is GUJPJRZANAUGIJ-NFBKMPQASA-N. The full InChI is InChI=1S/C23H18O3/c24-21-16-20(17-10-4-1-5-11-17)23(26-21,19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15,20H,16H2/t20-,23-/m1/s1.
What are the key properties of (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one?
(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one has a molecular weight of 342.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one is sourced from PubChem (CID 101447740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).