(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate

C20H16O6 — CID 71439554

IUPAC(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate
SMILESO=C1CC(COC(=O)c2ccccc2)OC=C1OC(=O)c1ccccc1
InChIInChI=1S/C20H16O6/c21-17-11-16(12-25-19(22)14-7-3-1-4-8-14)24-13-18(17)26-20(23)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyNPIJOFXVSZQPEB-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.90
Rot. Bonds5

About (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate

(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate (PubChem CID 71439554) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate.

Molecular Properties

Compound Name(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate
PubChem CID71439554
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate
SMILESO=C1CC(COC(=O)c2ccccc2)OC=C1OC(=O)c1ccccc1
InChIInChI=1S/C20H16O6/c21-17-11-16(12-25-19(22)14-7-3-1-4-8-14)24-13-18(17)26-20(23)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyNPIJOFXVSZQPEB-UHFFFAOYSA-N
XLogP2.90
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl benzoate
CID 170851440
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
(3-oxocyclobutyl)methyl benzoate
CID 15531476
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
(5-bromo-4-fluoro-4-methyloxolan-2-yl)methyl benzoate
CID 123592452
[(3aR,4S,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methyl benzoate
CID 15667489
2-[(2R,4R)-2-(benzoyloxymethyl)-1,3-dioxolan-4-yl]acetic acid
CID 67215314
[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]methyl benzoate
CID 131847754
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235

Frequently Asked Questions

What is the IUPAC name of (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate?
The IUPAC name of (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate (CID 71439554) is (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate.
What is the SMILES notation for (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate?
The canonical SMILES for (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate is O=C1CC(COC(=O)c2ccccc2)OC=C1OC(=O)c1ccccc1.
What is the InChIKey of (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate?
The InChIKey is NPIJOFXVSZQPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c21-17-11-16(12-25-19(22)14-7-3-1-4-8-14)24-13-18(17)26-20(23)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2.
What are the key properties of (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate?
(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate has a molecular weight of 352.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate is sourced from PubChem (CID 71439554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).