2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol

C10H11BrO3 — CID 84709686

IUPAC2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H11BrO3/c1-10(2,12)6-3-8-9(4-7(6)11)14-5-13-8/h3-4,12H,5H2,1-2H3
InChIKeyVYYPZUAQZZQOAN-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.41
Rot. Bonds1

About 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol

2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol (PubChem CID 84709686) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
PubChem CID84709686
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H11BrO3/c1-10(2,12)6-3-8-9(4-7(6)11)14-5-13-8/h3-4,12H,5H2,1-2H3
InChIKeyVYYPZUAQZZQOAN-UHFFFAOYSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole
CID 84710382
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84678952
2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84715487
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]ethanol
CID 84690463
5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole
CID 11054906
2-(6-bromo-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117463067
5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
CID 117286045
3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830943
(1S)-1-(6-bromo-1,3-benzodioxol-5-yl)prop-2-en-1-ol
CID 130699884
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]ethanamine
CID 84689779

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol?
The IUPAC name of 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol (CID 84709686) is 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol?
The canonical SMILES for 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol is CC(C)(O)c1cc2c(cc1Br)OCO2.
What is the InChIKey of 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol?
The InChIKey is VYYPZUAQZZQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-10(2,12)6-3-8-9(4-7(6)11)14-5-13-8/h3-4,12H,5H2,1-2H3.
What are the key properties of 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol?
2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol has a molecular weight of 259.10 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol is sourced from PubChem (CID 84709686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).