(5,7-ditert-butyl-1-benzofuran-2-yl)methanol

C17H24O2 — CID 65439941

IUPAC(5,7-ditert-butyl-1-benzofuran-2-yl)methanol
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(CO)cc2c1
InChIInChI=1S/C17H24O2/c1-16(2,3)12-7-11-8-13(10-18)19-15(11)14(9-12)17(4,5)6/h7-9,18H,10H2,1-6H3
InChIKeyDJHLIXPDMNROKL-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.52
Rot. Bonds1

About (5,7-ditert-butyl-1-benzofuran-2-yl)methanol

(5,7-ditert-butyl-1-benzofuran-2-yl)methanol (PubChem CID 65439941) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (5,7-ditert-butyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5,7-ditert-butyl-1-benzofuran-2-yl)methanol
PubChem CID65439941
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(5,7-ditert-butyl-1-benzofuran-2-yl)methanol
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(CO)cc2c1
InChIInChI=1S/C17H24O2/c1-16(2,3)12-7-11-8-13(10-18)19-15(11)14(9-12)17(4,5)6/h7-9,18H,10H2,1-6H3
InChIKeyDJHLIXPDMNROKL-UHFFFAOYSA-N
XLogP4.52
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,7-ditert-butyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (5,7-ditert-butyl-1-benzofuran-2-yl)methanol (CID 65439941) is (5,7-ditert-butyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5,7-ditert-butyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5,7-ditert-butyl-1-benzofuran-2-yl)methanol is CC(C)(C)c1cc(C(C)(C)C)c2oc(CO)cc2c1.
What is the InChIKey of (5,7-ditert-butyl-1-benzofuran-2-yl)methanol?
The InChIKey is DJHLIXPDMNROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-16(2,3)12-7-11-8-13(10-18)19-15(11)14(9-12)17(4,5)6/h7-9,18H,10H2,1-6H3.
What are the key properties of (5,7-ditert-butyl-1-benzofuran-2-yl)methanol?
(5,7-ditert-butyl-1-benzofuran-2-yl)methanol has a molecular weight of 260.38 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-ditert-butyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 65439941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).