3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione

C18H14O6 — CID 141285928

IUPAC3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione
SMILESO=C1OC(=O)C(O)(C(=O)C(c2ccccc2)c2ccccc2)C1O
InChIInChI=1S/C18H14O6/c19-14(18(23)15(20)16(21)24-17(18)22)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15,20,23H
InChIKeyKCUCLNAQKPEFQU-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.56
Rot. Bonds4

About 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione

3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione (PubChem CID 141285928) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione
PubChem CID141285928
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Name3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione
SMILESO=C1OC(=O)C(O)(C(=O)C(c2ccccc2)c2ccccc2)C1O
InChIInChI=1S/C18H14O6/c19-14(18(23)15(20)16(21)24-17(18)22)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15,20,23H
InChIKeyKCUCLNAQKPEFQU-UHFFFAOYSA-N
XLogP0.56
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-1-trimethylsilylethanone
CID 15905987
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
CID 97180818
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
CID 2567069
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione?
The IUPAC name of 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione (CID 141285928) is 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione.
What is the SMILES notation for 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione?
The canonical SMILES for 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione is O=C1OC(=O)C(O)(C(=O)C(c2ccccc2)c2ccccc2)C1O.
What is the InChIKey of 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione?
The InChIKey is KCUCLNAQKPEFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c19-14(18(23)15(20)16(21)24-17(18)22)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15,20,23H.
What are the key properties of 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione?
3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione has a molecular weight of 326.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylacetyl)-3,4-dihydroxyoxolane-2,5-dione is sourced from PubChem (CID 141285928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).