2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate

C11H12O4 — CID 3744758

IUPAC2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
SMILESCC(=O)OCC1COc2ccccc2O1
InChIInChI=1S/C11H12O4/c1-8(12)13-6-9-7-14-10-4-2-3-5-11(10)15-9/h2-5,9H,6-7H2,1H3
InChIKeyYVLJWDWINWYFAP-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.39
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate

2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate (PubChem CID 3744758) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
PubChem CID3744758
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
SMILESCC(=O)OCC1COc2ccccc2O1
InChIInChI=1S/C11H12O4/c1-8(12)13-6-9-7-14-10-4-2-3-5-11(10)15-9/h2-5,9H,6-7H2,1H3
InChIKeyYVLJWDWINWYFAP-UHFFFAOYSA-N
XLogP1.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
ethyl 2-bromo-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)but-2-enoate
CID 141377098
(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 144516200
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2,6-difluorobenzoate
CID 2315526
(7,12-dioxo-2,3-dihydronaphtho[2,3-h][1,4]benzodioxin-2-yl)methyl acetate
CID 71556786
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]ethyl acetate
CID 3040911
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)butanoic acid
CID 84617965
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
[6-(3-methyl-4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
CID 10349999
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 60718700
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
CID 43214838

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate (CID 3744758) is 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate is CC(=O)OCC1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate?
The InChIKey is YVLJWDWINWYFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)13-6-9-7-14-10-4-2-3-5-11(10)15-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate?
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate has a molecular weight of 208.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate is sourced from PubChem (CID 3744758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).