4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one

C17H14O5 — CID 152983989

IUPAC4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one
SMILESCOc1ccc(C2OC(=O)OC2C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14O5/c1-20-13-9-7-12(8-10-13)15-16(22-17(19)21-15)14(18)11-5-3-2-4-6-11/h2-10,15-16H,1H3
InChIKeyUUYHXNZGDMKCDL-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.15
Rot. Bonds4

About 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one

4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one (PubChem CID 152983989) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one
PubChem CID152983989
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one
SMILESCOc1ccc(C2OC(=O)OC2C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14O5/c1-20-13-9-7-12(8-10-13)15-16(22-17(19)21-15)14(18)11-5-3-2-4-6-11/h2-10,15-16H,1H3
InChIKeyUUYHXNZGDMKCDL-UHFFFAOYSA-N
XLogP3.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
(4R,5S)-4-benzoyl-5-(3,4-dimethylphenyl)-1,3-dioxolan-2-one
CID 53243739
[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12504152
(4-methoxyphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 14784200
[(2R,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-(4-methylphenyl)methanone
CID 2421215
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
[(5R,6R,7S)-5-(4-methoxyphenyl)-7-phenyl-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazol-6-yl]-phenylmethanone
CID 164685632

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one (CID 152983989) is 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one is COc1ccc(C2OC(=O)OC2C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one?
The InChIKey is UUYHXNZGDMKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-13-9-7-12(8-10-13)15-16(22-17(19)21-15)14(18)11-5-3-2-4-6-11/h2-10,15-16H,1H3.
What are the key properties of 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one?
4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one has a molecular weight of 298.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 152983989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).