2,3-ditert-butyl-1-benzofuran-5-ol

C16H22O2 — CID 150431760

IUPAC2,3-ditert-butyl-1-benzofuran-5-ol
SMILESCC(C)(C)c1oc2ccc(O)cc2c1C(C)(C)C
InChIInChI=1S/C16H22O2/c1-15(2,3)13-11-9-10(17)7-8-12(11)18-14(13)16(4,5)6/h7-9,17H,1-6H3
InChIKeyHJXTYYVIGUUILA-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.73
Rot. Bonds

About 2,3-ditert-butyl-1-benzofuran-5-ol

2,3-ditert-butyl-1-benzofuran-5-ol (PubChem CID 150431760) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,3-ditert-butyl-1-benzofuran-5-ol.

Molecular Properties

Compound Name2,3-ditert-butyl-1-benzofuran-5-ol
PubChem CID150431760
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,3-ditert-butyl-1-benzofuran-5-ol
SMILESCC(C)(C)c1oc2ccc(O)cc2c1C(C)(C)C
InChIInChI=1S/C16H22O2/c1-15(2,3)13-11-9-10(17)7-8-12(11)18-14(13)16(4,5)6/h7-9,17H,1-6H3
InChIKeyHJXTYYVIGUUILA-UHFFFAOYSA-N
XLogP4.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1-benzofuran-5-ol?
The IUPAC name of 2,3-ditert-butyl-1-benzofuran-5-ol (CID 150431760) is 2,3-ditert-butyl-1-benzofuran-5-ol.
What is the SMILES notation for 2,3-ditert-butyl-1-benzofuran-5-ol?
The canonical SMILES for 2,3-ditert-butyl-1-benzofuran-5-ol is CC(C)(C)c1oc2ccc(O)cc2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1-benzofuran-5-ol?
The InChIKey is HJXTYYVIGUUILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(2,3)13-11-9-10(17)7-8-12(11)18-14(13)16(4,5)6/h7-9,17H,1-6H3.
What are the key properties of 2,3-ditert-butyl-1-benzofuran-5-ol?
2,3-ditert-butyl-1-benzofuran-5-ol has a molecular weight of 246.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1-benzofuran-5-ol is sourced from PubChem (CID 150431760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).