2-tert-butyl-3-methyl-1-benzofuran-4-ol

C13H16O2 — CID 70367536

IUPAC2-tert-butyl-3-methyl-1-benzofuran-4-ol
SMILESCc1c(C(C)(C)C)oc2cccc(O)c12
InChIInChI=1S/C13H16O2/c1-8-11-9(14)6-5-7-10(11)15-12(8)13(2,3)4/h5-7,14H,1-4H3
InChIKeyXHYQPUJKWBJWIZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.74
Rot. Bonds

About 2-tert-butyl-3-methyl-1-benzofuran-4-ol

2-tert-butyl-3-methyl-1-benzofuran-4-ol (PubChem CID 70367536) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-1-benzofuran-4-ol
PubChem CID70367536
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-tert-butyl-3-methyl-1-benzofuran-4-ol
SMILESCc1c(C(C)(C)C)oc2cccc(O)c12
InChIInChI=1S/C13H16O2/c1-8-11-9(14)6-5-7-10(11)15-12(8)13(2,3)4/h5-7,14H,1-4H3
InChIKeyXHYQPUJKWBJWIZ-UHFFFAOYSA-N
XLogP3.74
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-1-benzofuran-4-ol?
The IUPAC name of 2-tert-butyl-3-methyl-1-benzofuran-4-ol (CID 70367536) is 2-tert-butyl-3-methyl-1-benzofuran-4-ol.
What is the SMILES notation for 2-tert-butyl-3-methyl-1-benzofuran-4-ol?
The canonical SMILES for 2-tert-butyl-3-methyl-1-benzofuran-4-ol is Cc1c(C(C)(C)C)oc2cccc(O)c12.
What is the InChIKey of 2-tert-butyl-3-methyl-1-benzofuran-4-ol?
The InChIKey is XHYQPUJKWBJWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-11-9(14)6-5-7-10(11)15-12(8)13(2,3)4/h5-7,14H,1-4H3.
What are the key properties of 2-tert-butyl-3-methyl-1-benzofuran-4-ol?
2-tert-butyl-3-methyl-1-benzofuran-4-ol has a molecular weight of 204.27 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-1-benzofuran-4-ol is sourced from PubChem (CID 70367536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).