(4S)-4-phenyloxolane-2,3-dione

C10H8O3 — CID 129383036

IUPAC(4S)-4-phenyloxolane-2,3-dione
SMILESO=C1OC[C@H](c2ccccc2)C1=O
InChIInChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyWYGILTLZANOLBZ-MRVPVSSYSA-N
MW176.17 g/mol
LogP0.90
Rot. Bonds1

About (4S)-4-phenyloxolane-2,3-dione

(4S)-4-phenyloxolane-2,3-dione (PubChem CID 129383036) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is (4S)-4-phenyloxolane-2,3-dione.

Molecular Properties

Compound Name(4S)-4-phenyloxolane-2,3-dione
PubChem CID129383036
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name(4S)-4-phenyloxolane-2,3-dione
SMILESO=C1OC[C@H](c2ccccc2)C1=O
InChIInChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyWYGILTLZANOLBZ-MRVPVSSYSA-N
XLogP0.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
(3Z,4S)-3-(hydroxymethylidene)-4-phenyloxolan-2-one
CID 6339971
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
CID 95861308
(3E)-3-(1-aminopropylidene)-4-phenyloxolan-2-one
CID 102266197
CID 169424704
CID 169424704
(3R)-3-phenyloxan-4-one
CID 95165340
4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one
CID 71966699
4-phenyl-1,3-dioxolan-2-one
CID 160714565
3-amino-7-phenyl-1,5-dioxonane-6,9-dione
CID 18681838
3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
CID 59356086
(3E)-3-[amino-(3-methylphenyl)methylidene]-4-phenyloxolan-2-one
CID 102266194

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyloxolane-2,3-dione?
The IUPAC name of (4S)-4-phenyloxolane-2,3-dione (CID 129383036) is (4S)-4-phenyloxolane-2,3-dione.
What is the SMILES notation for (4S)-4-phenyloxolane-2,3-dione?
The canonical SMILES for (4S)-4-phenyloxolane-2,3-dione is O=C1OC[C@H](c2ccccc2)C1=O.
What is the InChIKey of (4S)-4-phenyloxolane-2,3-dione?
The InChIKey is WYGILTLZANOLBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1.
What are the key properties of (4S)-4-phenyloxolane-2,3-dione?
(4S)-4-phenyloxolane-2,3-dione has a molecular weight of 176.17 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyloxolane-2,3-dione is sourced from PubChem (CID 129383036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).