2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid

C10H9BrO5 — CID 121210349

IUPAC2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C10H9BrO5/c11-7-3-6(16-5-9(12)13)4-8-10(7)15-2-1-14-8/h3-4H,1-2,5H2,(H,12,13)
InChIKeyGWEAOBDQFAYFLC-UHFFFAOYSA-N
MW289.08 g/mol
LogP1.68
Rot. Bonds3

About 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid

2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid (PubChem CID 121210349) has the molecular formula C10H9BrO5 and a molecular weight of 289.08 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid
PubChem CID121210349
Molecular FormulaC10H9BrO5
Molecular Weight289.08 g/mol
Exact Mass287.96
IUPAC Name2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C10H9BrO5/c11-7-3-6(16-5-9(12)13)4-8-10(7)15-2-1-14-8/h3-4H,1-2,5H2,(H,12,13)
InChIKeyGWEAOBDQFAYFLC-UHFFFAOYSA-N
XLogP1.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-hydroxypropanoic acid
CID 62395120
3-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117484732
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 131177273
3-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117490209
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 117466605
5-bromo-7-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
CID 43143965
2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
CID 163279434
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione
CID 43608307
3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoroprop-2-enoic acid
CID 79727148
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117317862

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid (CID 121210349) is 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid is O=C(O)COc1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid?
The InChIKey is GWEAOBDQFAYFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO5/c11-7-3-6(16-5-9(12)13)4-8-10(7)15-2-1-14-8/h3-4H,1-2,5H2,(H,12,13).
What are the key properties of 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid?
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid has a molecular weight of 289.08 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid is sourced from PubChem (CID 121210349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).