[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate

C10H10O4 — CID 129391816

IUPAC[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate
SMILESCC(=O)O[C@@H]1COc2ccccc2O1
InChIInChI=1S/C10H10O4/c1-7(11)13-10-6-12-8-4-2-3-5-9(8)14-10/h2-5,10H,6H2,1H3/t10-/m0/s1
InChIKeyUVHWHUIRPILQMZ-JTQLQIEISA-N
MW194.19 g/mol
LogP1.35
Rot. Bonds1

About [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate

[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate (PubChem CID 129391816) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate
PubChem CID129391816
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate
SMILESCC(=O)O[C@@H]1COc2ccccc2O1
InChIInChI=1S/C10H10O4/c1-7(11)13-10-6-12-8-4-2-3-5-9(8)14-10/h2-5,10H,6H2,1H3/t10-/m0/s1
InChIKeyUVHWHUIRPILQMZ-JTQLQIEISA-N
XLogP1.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
(4-acetylphenyl) (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7741127
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55525771
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate
CID 65351667
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
3-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxypropyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7503554

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate?
The IUPAC name of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate (CID 129391816) is [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate.
What is the SMILES notation for [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate?
The canonical SMILES for [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate is CC(=O)O[C@@H]1COc2ccccc2O1.
What is the InChIKey of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate?
The InChIKey is UVHWHUIRPILQMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)13-10-6-12-8-4-2-3-5-9(8)14-10/h2-5,10H,6H2,1H3/t10-/m0/s1.
What are the key properties of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate?
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate has a molecular weight of 194.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate is sourced from PubChem (CID 129391816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).