(2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate

C19H16O5 — CID 23961947

IUPAC(2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C19H16O5/c1-12-6-8-13(9-7-12)17(20)14-4-2-3-5-15(14)18(21)24-16-10-11-23-19(16)22/h2-9,16H,10-11H2,1H3
InChIKeyWSJOLWPFMFQGFA-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.70
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate

(2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate (PubChem CID 23961947) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate
PubChem CID23961947
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C19H16O5/c1-12-6-8-13(9-7-12)17(20)14-4-2-3-5-15(14)18(21)24-16-10-11-23-19(16)22/h2-9,16H,10-11H2,1H3
InChIKeyWSJOLWPFMFQGFA-UHFFFAOYSA-N
XLogP2.70
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 2,3-dimethylbenzoate
CID 7815401
(2-oxooxolan-3-yl) 2-amino-5-methylbenzoate
CID 60768740
[(3R)-2-oxooxolan-3-yl] 2-methyl-3-nitrobenzoate
CID 2361800
[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
CID 8595816
(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 42899889
[(3S)-2-oxooxolan-3-yl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832685
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814
[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-(4-methylbenzoyl)benzoate
CID 16578102
[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
CID 2538214
(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate
CID 23847503
[(3R)-2-oxooxolan-3-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439958
[(3S)-2-oxooxolan-3-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726961

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate (CID 23961947) is (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate?
The InChIKey is WSJOLWPFMFQGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-12-6-8-13(9-7-12)17(20)14-4-2-3-5-15(14)18(21)24-16-10-11-23-19(16)22/h2-9,16H,10-11H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate?
(2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate has a molecular weight of 324.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 23961947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).