2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate

C10H9O5- — CID 7081819

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
SMILESO=C([O-])COc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H10O5/c11-10(12)6-15-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)/p-1
InChIKeyHHBVMFFBGUGQMO-UHFFFAOYSA-M
MW209.18 g/mol
LogP-0.41
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate (PubChem CID 7081819) has the molecular formula C10H9O5- and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
PubChem CID7081819
Molecular FormulaC10H9O5-
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
SMILESO=C([O-])COc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H10O5/c11-10(12)6-15-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)/p-1
InChIKeyHHBVMFFBGUGQMO-UHFFFAOYSA-M
XLogP-0.41
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24582149
N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534220
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 17396613
2-[4-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yldiazenyl)phenoxy]acetic acid
CID 12669108
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-iodophenoxy)ethanone
CID 7473176
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide
CID 7892464
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile
CID 23850252
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 123641845
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate (CID 7081819) is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate is O=C([O-])COc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate?
The InChIKey is HHBVMFFBGUGQMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O5/c11-10(12)6-15-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)/p-1.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate?
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate has a molecular weight of 209.18 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate is sourced from PubChem (CID 7081819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).