5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol

C10H11BrO3 — CID 45378288

IUPAC5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol
SMILESCC1(C)OCc2c(ccc(O)c2Br)O1
InChIInChI=1S/C10H11BrO3/c1-10(2)13-5-6-8(14-10)4-3-7(12)9(6)11/h3-4,12H,5H2,1-2H3
InChIKeyGNHTXBDNHLKJSX-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.80
Rot. Bonds

About 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol

5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol (PubChem CID 45378288) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol.

Molecular Properties

Compound Name5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol
PubChem CID45378288
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol
SMILESCC1(C)OCc2c(ccc(O)c2Br)O1
InChIInChI=1S/C10H11BrO3/c1-10(2)13-5-6-8(14-10)4-3-7(12)9(6)11/h3-4,12H,5H2,1-2H3
InChIKeyGNHTXBDNHLKJSX-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 101113077
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)acetate
CID 86690732
6-bromo-8,8-dimethyl-3,10-dihydro-2H-[1,3]dioxino[4,5-h][1,4]benzodioxine
CID 174245393
5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol
CID 101113074
(1R)-2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 25098927
2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 13375620
7-iodo-2,2-dimethyl-4H-1,3-benzodioxine
CID 23439888
5-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-2,2-dimethyl-4H-1,3-benzodioxine
CID 162624700
methyl (2S)-3-(2,2-dimethyl-4H-1,3-benzodioxin-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 162512944
4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol
CID 67968906
2,2-dimethyl-6-[(2S)-oxiran-2-yl]-4H-1,3-benzodioxine
CID 57346543
(1S)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 11615507

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol?
The IUPAC name of 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol (CID 45378288) is 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol.
What is the SMILES notation for 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol?
The canonical SMILES for 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol is CC1(C)OCc2c(ccc(O)c2Br)O1.
What is the InChIKey of 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol?
The InChIKey is GNHTXBDNHLKJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-10(2)13-5-6-8(14-10)4-3-7(12)9(6)11/h3-4,12H,5H2,1-2H3.
What are the key properties of 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol?
5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol has a molecular weight of 259.10 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol is sourced from PubChem (CID 45378288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).