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

C9H9BrO3 — CID 43143963

IUPAC(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESOCc1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C9H9BrO3/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4,11H,1-2,5H2
InChIKeyVMMYUMFRIDVFLD-UHFFFAOYSA-N
MW245.07 g/mol
LogP1.71
Rot. Bonds1

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

(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (PubChem CID 43143963) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
PubChem CID43143963
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESOCc1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C9H9BrO3/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4,11H,1-2,5H2
InChIKeyVMMYUMFRIDVFLD-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
CID 43143965
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 43143868
(6-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)methanol
CID 84715509
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetonitrile
CID 75481902
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
(2R)-2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propan-1-ol
CID 93082286
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769
(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine
CID 43143968
5-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]pentan-1-ol
CID 107302992
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
CID 43143939
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid
CID 54959722
3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-4-methylpentan-1-ol
CID 103700854

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (CID 43143963) is (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is OCc1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The InChIKey is VMMYUMFRIDVFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4,11H,1-2,5H2.
What are the key properties of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol has a molecular weight of 245.07 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is sourced from PubChem (CID 43143963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).