4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol

C16H24O2 — CID 10868658

IUPAC4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCO2
InChIInChI=1S/C16H24O2/c1-15(2,3)11-9-12-10(7-8-18-12)13(14(11)17)16(4,5)6/h9,17H,7-8H2,1-6H3
InChIKeyZJQROHZHGAYXEJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.92
Rot. Bonds

About 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol

4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 10868658) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID10868658
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCO2
InChIInChI=1S/C16H24O2/c1-15(2,3)11-9-12-10(7-8-18-12)13(14(11)17)16(4,5)6/h9,17H,7-8H2,1-6H3
InChIKeyZJQROHZHGAYXEJ-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol (CID 10868658) is 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol is CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCO2.
What is the InChIKey of 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is ZJQROHZHGAYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2,3)11-9-12-10(7-8-18-12)13(14(11)17)16(4,5)6/h9,17H,7-8H2,1-6H3.
What are the key properties of 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol?
4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 248.37 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 10868658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).