3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one

C24H22O3 — CID 20767096

IUPAC3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one
SMILESO=C(Cc1cccc(C2OCCO2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O3/c25-22(17-18-8-7-13-21(16-18)24-26-14-15-27-24)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,23-24H,14-15,17H2
InChIKeyNPXQPLXHWBAVND-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.68
Rot. Bonds6

About 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one

3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one (PubChem CID 20767096) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one.

Molecular Properties

Compound Name3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one
PubChem CID20767096
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one
SMILESO=C(Cc1cccc(C2OCCO2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O3/c25-22(17-18-8-7-13-21(16-18)24-26-14-15-27-24)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,23-24H,14-15,17H2
InChIKeyNPXQPLXHWBAVND-UHFFFAOYSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propyl 3-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 73356724
3-(3-Phenylphenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205618
Methyl 3-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 72206177
(2,2-Diphenyl-1,3-dioxolan-4-yl)methyl benzoate
CID 236533
3-(1,3-Dioxolan-2-YL)benzophenone
CID 10515088
(4R,5R)-4,5-diphenyl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]-1,3-dioxolane
CID 134839441
2-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one
CID 138968516
1-[3,5-Bis(trifluoromethyl)phenyl]-2-[2-(1,3-dioxolan-2-yl)phenyl]ethanone
CID 138972934
(2S,5S)-2-tert-butyl-5-[(1S)-3-oxo-1-phenylbutyl]-5-phenyl-1,3-dioxolan-4-one
CID 12024391
Diethyl [3-(1,3-dioxolan-2-yl)phenyl]malonate
CID 10892196
2-Butanone, 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methyl-
CID 11746575
Benzyl 2,2-diphenylacetate
CID 12326043

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one?
The IUPAC name of 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one (CID 20767096) is 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one.
What is the SMILES notation for 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one?
The canonical SMILES for 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one is O=C(Cc1cccc(C2OCCO2)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one?
The InChIKey is NPXQPLXHWBAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c25-22(17-18-8-7-13-21(16-18)24-26-14-15-27-24)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,23-24H,14-15,17H2.
What are the key properties of 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one?
3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one has a molecular weight of 358.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxolan-2-yl)phenyl]-1,1-diphenylpropan-2-one is sourced from PubChem (CID 20767096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).