2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol

C12H15BrO3 — CID 117463066

IUPAC2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(Br)cc2c1OCOC2
InChIInChI=1S/C12H15BrO3/c1-12(2,6-14)10-4-9(13)3-8-5-15-7-16-11(8)10/h3-4,14H,5-7H2,1-2H3
InChIKeyGJISGCLSZFYANM-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.59
Rot. Bonds2

About 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol

2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol (PubChem CID 117463066) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol
PubChem CID117463066
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(Br)cc2c1OCOC2
InChIInChI=1S/C12H15BrO3/c1-12(2,6-14)10-4-9(13)3-8-5-15-7-16-11(8)10/h3-4,14H,5-7H2,1-2H3
InChIKeyGJISGCLSZFYANM-UHFFFAOYSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117463067
2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117358844
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
CID 83903752
6-bromo-4H-1,3-benzodioxine-8-carboxylic acid
CID 83901717
1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
CID 83903751
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutane-1-carboxylic acid
CID 117498058
1-(8-bromo-4H-1,3-benzodioxin-6-yl)propan-2-one
CID 83903509
2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
CID 117456869
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol (CID 117463066) is 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol is CC(C)(CO)c1cc(Br)cc2c1OCOC2.
What is the InChIKey of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol?
The InChIKey is GJISGCLSZFYANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-12(2,6-14)10-4-9(13)3-8-5-15-7-16-11(8)10/h3-4,14H,5-7H2,1-2H3.
What are the key properties of 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol?
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol has a molecular weight of 287.15 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117463066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).