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

C18H28O2 — CID 10062026

IUPAC4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol
SMILESCC1(C)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1
InChIInChI=1S/C18H28O2/c1-16(2,3)12-9-13-11(10-18(7,8)20-13)14(15(12)19)17(4,5)6/h9,19H,10H2,1-8H3
InChIKeyXZZFNPFTUFXNRE-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.70
Rot. Bonds

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

4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol (PubChem CID 10062026) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol
PubChem CID10062026
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol
SMILESCC1(C)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1
InChIInChI=1S/C18H28O2/c1-16(2,3)12-9-13-11(10-18(7,8)20-13)14(15(12)19)17(4,5)6/h9,19H,10H2,1-8H3
InChIKeyXZZFNPFTUFXNRE-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.70
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-2,2-dimethyl-3H-1-benzofuran-5-ol?
The IUPAC name of 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol (CID 10062026) is 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol is CC1(C)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1.
What is the InChIKey of 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol?
The InChIKey is XZZFNPFTUFXNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-16(2,3)12-9-13-11(10-18(7,8)20-13)14(15(12)19)17(4,5)6/h9,19H,10H2,1-8H3.
What are the key properties of 4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol?
4,6-ditert-butyl-2,2-dimethyl-3H-1-benzofuran-5-ol has a molecular weight of 276.42 g/mol, XLogP of 4.70, 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-2,2-dimethyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 10062026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).