1,3-dioxol-4-ylmethyl benzoate

C11H10O4 — CID 175693706

IUPAC1,3-dioxol-4-ylmethyl benzoate
SMILESO=C(OCC1=COCO1)c1ccccc1
InChIInChI=1S/C11H10O4/c12-11(9-4-2-1-3-5-9)14-7-10-6-13-8-15-10/h1-6H,7-8H2
InChIKeyVOINARQYUOHMGJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.69
Rot. Bonds3

About 1,3-dioxol-4-ylmethyl benzoate

1,3-dioxol-4-ylmethyl benzoate (PubChem CID 175693706) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,3-dioxol-4-ylmethyl benzoate.

Molecular Properties

Compound Name1,3-dioxol-4-ylmethyl benzoate
PubChem CID175693706
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name1,3-dioxol-4-ylmethyl benzoate
SMILESO=C(OCC1=COCO1)c1ccccc1
InChIInChI=1S/C11H10O4/c12-11(9-4-2-1-3-5-9)14-7-10-6-13-8-15-10/h1-6H,7-8H2
InChIKeyVOINARQYUOHMGJ-UHFFFAOYSA-N
XLogP1.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dioxol-4-ylmethyl 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylate
CID 154049255
benzyl benzoate
CID 2345
[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate
CID 70973154
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl benzoate
CID 7868386
benzyl benzoate;2-phenylacetic acid
CID 70386781
(3-bromo-1,2-oxazol-5-yl)methyl benzoate
CID 52951006
[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
CID 67190343
(E)-3-[3-(benzoyloxymethyl)-2H-1,3-oxazol-5-yl]prop-2-enoic acid
CID 18454442
potassium hydroxymethyl benzoate
CID 22993318
2-benzoyloxyethyl benzoate;ethene
CID 67969171
(3-hydroxy-4-oxopyran-2-yl)methyl benzoate
CID 86206329
ethyl benzoate;toluene
CID 23150750

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-4-ylmethyl benzoate?
The IUPAC name of 1,3-dioxol-4-ylmethyl benzoate (CID 175693706) is 1,3-dioxol-4-ylmethyl benzoate.
What is the SMILES notation for 1,3-dioxol-4-ylmethyl benzoate?
The canonical SMILES for 1,3-dioxol-4-ylmethyl benzoate is O=C(OCC1=COCO1)c1ccccc1.
What is the InChIKey of 1,3-dioxol-4-ylmethyl benzoate?
The InChIKey is VOINARQYUOHMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-11(9-4-2-1-3-5-9)14-7-10-6-13-8-15-10/h1-6H,7-8H2.
What are the key properties of 1,3-dioxol-4-ylmethyl benzoate?
1,3-dioxol-4-ylmethyl benzoate has a molecular weight of 206.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-4-ylmethyl benzoate is sourced from PubChem (CID 175693706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).