1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol

C17H17BrO2 — CID 65439182

IUPAC1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc2cc3ccccc3c(Br)c2o1
InChIInChI=1S/C17H17BrO2/c1-17(2,3)16(19)13-9-11-8-10-6-4-5-7-12(10)14(18)15(11)20-13/h4-9,16,19H,1-3H3
InChIKeySVSMYLRCNHYUKV-UHFFFAOYSA-N
MW333.23 g/mol
LogP5.43
Rot. Bonds1

About 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol

1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 65439182) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID65439182
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc2cc3ccccc3c(Br)c2o1
InChIInChI=1S/C17H17BrO2/c1-17(2,3)16(19)13-9-11-8-10-6-4-5-7-12(10)14(18)15(11)20-13/h4-9,16,19H,1-3H3
InChIKeySVSMYLRCNHYUKV-UHFFFAOYSA-N
XLogP5.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 55.43
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-(5-chlorobenzo[g][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441077
1-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066
N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine
CID 65438638
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
9-bromo-2-tert-butylanthracene
CID 23148611
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438982
1-bromo-3-tert-butylnaphthalen-2-ol
CID 164578016
1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol
CID 155481572
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
2-bromo-9-chlorobenzo[f][1]benzofuran
CID 176753820

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol (CID 65439182) is 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc2cc3ccccc3c(Br)c2o1.
What is the InChIKey of 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is SVSMYLRCNHYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-17(2,3)16(19)13-9-11-8-10-6-4-5-7-12(10)14(18)15(11)20-13/h4-9,16,19H,1-3H3.
What are the key properties of 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 333.23 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65439182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).