1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

C13H15BrO2 — CID 65438582

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H15BrO2/c1-13(2,3)12(15)10-7-8-5-4-6-9(14)11(8)16-10/h4-7,12,15H,1-3H3
InChIKeyWJSOLTFPUYHWMX-UHFFFAOYSA-N
MW283.17 g/mol
LogP4.27
Rot. Bonds1

About 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 65438582) has the molecular formula C13H15BrO2 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID65438582
Molecular FormulaC13H15BrO2
Molecular Weight283.17 g/mol
Exact Mass282.03
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H15BrO2/c1-13(2,3)12(15)10-7-8-5-4-6-9(14)11(8)16-10/h4-7,12,15H,1-3H3
InChIKeyWJSOLTFPUYHWMX-UHFFFAOYSA-N
XLogP4.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (CID 65438582) is 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is WJSOLTFPUYHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-13(2,3)12(15)10-7-8-5-4-6-9(14)11(8)16-10/h4-7,12,15H,1-3H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 283.17 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65438582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).