2-tert-butyl-1-benzofuran-7-ol

C12H14O2 — CID 167376192

IUPAC2-tert-butyl-1-benzofuran-7-ol
SMILESCC(C)(C)c1cc2cccc(O)c2o1
InChIInChI=1S/C12H14O2/c1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10/h4-7,13H,1-3H3
InChIKeyIYIADDCHTDMQLS-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.44
Rot. Bonds

About 2-tert-butyl-1-benzofuran-7-ol

2-tert-butyl-1-benzofuran-7-ol (PubChem CID 167376192) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran-7-ol.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran-7-ol
PubChem CID167376192
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-tert-butyl-1-benzofuran-7-ol
SMILESCC(C)(C)c1cc2cccc(O)c2o1
InChIInChI=1S/C12H14O2/c1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10/h4-7,13H,1-3H3
InChIKeyIYIADDCHTDMQLS-UHFFFAOYSA-N
XLogP3.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran-7-ol?
The IUPAC name of 2-tert-butyl-1-benzofuran-7-ol (CID 167376192) is 2-tert-butyl-1-benzofuran-7-ol.
What is the SMILES notation for 2-tert-butyl-1-benzofuran-7-ol?
The canonical SMILES for 2-tert-butyl-1-benzofuran-7-ol is CC(C)(C)c1cc2cccc(O)c2o1.
What is the InChIKey of 2-tert-butyl-1-benzofuran-7-ol?
The InChIKey is IYIADDCHTDMQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10/h4-7,13H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran-7-ol?
2-tert-butyl-1-benzofuran-7-ol has a molecular weight of 190.24 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran-7-ol is sourced from PubChem (CID 167376192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).