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

C24H40O2 — CID 10215604

IUPAC2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol
SMILESCCCCC1(CCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1
InChIInChI=1S/C24H40O2/c1-9-11-13-24(14-12-10-2)16-17-19(26-24)15-18(22(3,4)5)21(25)20(17)23(6,7)8/h15,25H,9-14,16H2,1-8H3
InChIKeyUYJVQPVZUMEFJQ-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.04
Rot. Bonds6

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

2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol (PubChem CID 10215604) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol
PubChem CID10215604
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol
SMILESCCCCC1(CCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1
InChIInChI=1S/C24H40O2/c1-9-11-13-24(14-12-10-2)16-17-19(26-24)15-18(22(3,4)5)21(25)20(17)23(6,7)8/h15,25H,9-14,16H2,1-8H3
InChIKeyUYJVQPVZUMEFJQ-UHFFFAOYSA-N
XLogP7.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol?
The IUPAC name of 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol (CID 10215604) is 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol is CCCCC1(CCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1.
What is the InChIKey of 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol?
The InChIKey is UYJVQPVZUMEFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-9-11-13-24(14-12-10-2)16-17-19(26-24)15-18(22(3,4)5)21(25)20(17)23(6,7)8/h15,25H,9-14,16H2,1-8H3.
What are the key properties of 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol?
2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol has a molecular weight of 360.58 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4,6-ditert-butyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 10215604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).