1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol

C16H24O2 — CID 10776971

IUPAC1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
SMILESCC(O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C16H24O2/c1-10(17)11-7-12(15(2,3)4)14-13(8-11)16(5,6)9-18-14/h7-8,10,17H,9H2,1-6H3
InChIKeyYYEKBMUASNYOCA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds1

About 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol

1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol (PubChem CID 10776971) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
PubChem CID10776971
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
SMILESCC(O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C16H24O2/c1-10(17)11-7-12(15(2,3)4)14-13(8-11)16(5,6)9-18-14/h7-8,10,17H,9H2,1-6H3
InChIKeyYYEKBMUASNYOCA-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
The IUPAC name of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol (CID 10776971) is 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol is CC(O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2.
What is the InChIKey of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
The InChIKey is YYEKBMUASNYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(17)11-7-12(15(2,3)4)14-13(8-11)16(5,6)9-18-14/h7-8,10,17H,9H2,1-6H3.
What are the key properties of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 10776971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).