1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

C14H17BrO2 — CID 65441066

IUPAC1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCc1cc(Br)c2oc(C(O)C(C)(C)C)cc2c1
InChIInChI=1S/C14H17BrO2/c1-8-5-9-7-11(13(16)14(2,3)4)17-12(9)10(15)6-8/h5-7,13,16H,1-4H3
InChIKeyBRQKITONIZCYIR-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.58
Rot. Bonds1

About 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 65441066) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID65441066
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCc1cc(Br)c2oc(C(O)C(C)(C)C)cc2c1
InChIInChI=1S/C14H17BrO2/c1-8-5-9-7-11(13(16)14(2,3)4)17-12(9)10(15)6-8/h5-7,13,16H,1-4H3
InChIKeyBRQKITONIZCYIR-UHFFFAOYSA-N
XLogP4.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65439182
N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 65438613
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
CID 65439503
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
CID 65438665
1-(5-chlorobenzo[g][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441077
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanol
CID 65439372
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
7-bromo-3-tert-butyl-5-methyl-1-benzofuran-2-carboxylic acid
CID 63487844

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (CID 65441066) is 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is Cc1cc(Br)c2oc(C(O)C(C)(C)C)cc2c1.
What is the InChIKey of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is BRQKITONIZCYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-8-5-9-7-11(13(16)14(2,3)4)17-12(9)10(15)6-8/h5-7,13,16H,1-4H3.
What are the key properties of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 297.19 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65441066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).