(4-benzoyloxyoxolan-3-yl) benzoate

C18H16O5 — CID 123149129

IUPAC(4-benzoyloxyoxolan-3-yl) benzoate
SMILESO=C(OC1COCC1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O5/c19-17(13-7-3-1-4-8-13)22-15-11-21-12-16(15)23-18(20)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyAQVBUOPCPJFYOW-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.47
Rot. Bonds4

About (4-benzoyloxyoxolan-3-yl) benzoate

(4-benzoyloxyoxolan-3-yl) benzoate (PubChem CID 123149129) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (4-benzoyloxyoxolan-3-yl) benzoate.

Molecular Properties

Compound Name(4-benzoyloxyoxolan-3-yl) benzoate
PubChem CID123149129
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(4-benzoyloxyoxolan-3-yl) benzoate
SMILESO=C(OC1COCC1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O5/c19-17(13-7-3-1-4-8-13)22-15-11-21-12-16(15)23-18(20)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyAQVBUOPCPJFYOW-UHFFFAOYSA-N
XLogP2.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-4-phenyloxolan-3-yl] benzoate
CID 126600996
[(3R)-4-hydroxyoxan-3-yl] benzoate
CID 155182025
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
(4-aminooxan-3-yl) benzoate
CID 68668779
[(4S,5R)-2,5-dibenzoyloxyoxan-4-yl] benzoate
CID 14079539
[(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-hydroxyoxan-3-yl] benzoate
CID 141162171
[(3S,4R,5S,6R)-4,6-dibenzoyloxy-5-methoxyoxan-3-yl] benzoate
CID 163022337
[(3S,5R,6R)-5,6-dibenzoyloxyoxan-3-yl] benzoate
CID 15870520
[4-benzoyloxy-5-(hydroxymethyl)oxolan-3-yl] benzoate
CID 123161698
(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
CID 54070858
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407

Frequently Asked Questions

What is the IUPAC name of (4-benzoyloxyoxolan-3-yl) benzoate?
The IUPAC name of (4-benzoyloxyoxolan-3-yl) benzoate (CID 123149129) is (4-benzoyloxyoxolan-3-yl) benzoate.
What is the SMILES notation for (4-benzoyloxyoxolan-3-yl) benzoate?
The canonical SMILES for (4-benzoyloxyoxolan-3-yl) benzoate is O=C(OC1COCC1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (4-benzoyloxyoxolan-3-yl) benzoate?
The InChIKey is AQVBUOPCPJFYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c19-17(13-7-3-1-4-8-13)22-15-11-21-12-16(15)23-18(20)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of (4-benzoyloxyoxolan-3-yl) benzoate?
(4-benzoyloxyoxolan-3-yl) benzoate has a molecular weight of 312.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyloxyoxolan-3-yl) benzoate is sourced from PubChem (CID 123149129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).