1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol

C10H11BrO4 — CID 82713152

IUPAC1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C10H11BrO4/c11-7-3-6(8(13)5-12)4-9-10(7)15-2-1-14-9/h3-4,8,12-13H,1-2,5H2
InChIKeyZIFPHAZUZDQPNE-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.25
Rot. Bonds2

About 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol (PubChem CID 82713152) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
PubChem CID82713152
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C10H11BrO4/c11-7-3-6(8(13)5-12)4-9-10(7)15-2-1-14-9/h3-4,8,12-13H,1-2,5H2
InChIKeyZIFPHAZUZDQPNE-UHFFFAOYSA-N
XLogP1.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.25
H-Bond Donors ≤ 52
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
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol
CID 65149646
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-bromophenyl)ethanol
CID 63900962
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-1-ol
CID 65149748
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-thiophen-2-ylethanol
CID 65150352
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetonitrile
CID 43436579
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylethanol
CID 63902391
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chlorophenyl)ethanol
CID 63900335
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825201
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035117
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-ethoxyethanol
CID 79567120
sodium (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-hydroxymethanesulfonate
CID 103573910

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol (CID 82713152) is 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol is OCC(O)c1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol?
The InChIKey is ZIFPHAZUZDQPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c11-7-3-6(8(13)5-12)4-9-10(7)15-2-1-14-9/h3-4,8,12-13H,1-2,5H2.
What are the key properties of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol?
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol has a molecular weight of 275.10 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol is sourced from PubChem (CID 82713152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).