3-(2,2-dimethylpropyl)-1-benzofuran-6-ol

C13H16O2 — CID 22459006

IUPAC3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
SMILESCC(C)(C)Cc1coc2cc(O)ccc12
InChIInChI=1S/C13H16O2/c1-13(2,3)7-9-8-15-12-6-10(14)4-5-11(9)12/h4-6,8,14H,7H2,1-3H3
InChIKeyIFLAIMVXFVVZFQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.73
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol

3-(2,2-dimethylpropyl)-1-benzofuran-6-ol (PubChem CID 22459006) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
PubChem CID22459006
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
SMILESCC(C)(C)Cc1coc2cc(O)ccc12
InChIInChI=1S/C13H16O2/c1-13(2,3)7-9-8-15-12-6-10(14)4-5-11(9)12/h4-6,8,14H,7H2,1-3H3
InChIKeyIFLAIMVXFVVZFQ-UHFFFAOYSA-N
XLogP3.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol (CID 22459006) is 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol is CC(C)(C)Cc1coc2cc(O)ccc12.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol?
The InChIKey is IFLAIMVXFVVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2,3)7-9-8-15-12-6-10(14)4-5-11(9)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol?
3-(2,2-dimethylpropyl)-1-benzofuran-6-ol has a molecular weight of 204.27 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-benzofuran-6-ol is sourced from PubChem (CID 22459006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).