(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate

C11H10Br2O4 — CID 144516200

IUPAC(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
SMILESCC(=O)OCC1COc2cc(Br)c(Br)cc2O1
InChIInChI=1S/C11H10Br2O4/c1-6(14)15-4-7-5-16-10-2-8(12)9(13)3-11(10)17-7/h2-3,7H,4-5H2,1H3
InChIKeyGBABOZGGWITCSE-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.91
Rot. Bonds2

About (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate

(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate (PubChem CID 144516200) has the molecular formula C11H10Br2O4 and a molecular weight of 366.01 g/mol. Its IUPAC name is (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate.

Molecular Properties

Compound Name(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
PubChem CID144516200
Molecular FormulaC11H10Br2O4
Molecular Weight366.01 g/mol
Exact Mass363.89
IUPAC Name(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
SMILESCC(=O)OCC1COc2cc(Br)c(Br)cc2O1
InChIInChI=1S/C11H10Br2O4/c1-6(14)15-4-7-5-16-10-2-8(12)9(13)3-11(10)17-7/h2-3,7H,4-5H2,1H3
InChIKeyGBABOZGGWITCSE-UHFFFAOYSA-N
XLogP2.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.91
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
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
[(3R)-6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
CID 139580145
(6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 139580148
(5,8-diamino-6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl acetate
CID 89400218
methyl 6-amino-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 167227548
[6-(3-methyl-4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
CID 10349999
(7,12-dioxo-2,3-dihydronaphtho[2,3-h][1,4]benzodioxin-2-yl)methyl acetate
CID 71556786
ethyl 2-bromo-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)but-2-enoate
CID 141377098
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate
CID 23284889
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
CID 175213010

Frequently Asked Questions

What is the IUPAC name of (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
The IUPAC name of (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate (CID 144516200) is (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate.
What is the SMILES notation for (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
The canonical SMILES for (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate is CC(=O)OCC1COc2cc(Br)c(Br)cc2O1.
What is the InChIKey of (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
The InChIKey is GBABOZGGWITCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2O4/c1-6(14)15-4-7-5-16-10-2-8(12)9(13)3-11(10)17-7/h2-3,7H,4-5H2,1H3.
What are the key properties of (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate has a molecular weight of 366.01 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate is sourced from PubChem (CID 144516200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).