1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one

C17H22O2 — CID 65427665

IUPAC1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCc1cc(C(C)(C)C)cc2cc(C(=O)C(C)C)oc12
InChIInChI=1S/C17H22O2/c1-10(2)15(18)14-9-12-8-13(17(4,5)6)7-11(3)16(12)19-14/h7-10H,1-6H3
InChIKeyVONCALNIRBQRLS-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.88
Rot. Bonds2

About 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one

1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one (PubChem CID 65427665) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one
PubChem CID65427665
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCc1cc(C(C)(C)C)cc2cc(C(=O)C(C)C)oc12
InChIInChI=1S/C17H22O2/c1-10(2)15(18)14-9-12-8-13(17(4,5)6)7-11(3)16(12)19-14/h7-10H,1-6H3
InChIKeyVONCALNIRBQRLS-UHFFFAOYSA-N
XLogP4.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one (CID 65427665) is 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one is Cc1cc(C(C)(C)C)cc2cc(C(=O)C(C)C)oc12.
What is the InChIKey of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one?
The InChIKey is VONCALNIRBQRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-10(2)15(18)14-9-12-8-13(17(4,5)6)7-11(3)16(12)19-14/h7-10H,1-6H3.
What are the key properties of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one?
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 65427665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).