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

C18H24O2 — CID 65427836

IUPAC1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(C)(C)C)cc2cc(C(=O)C(C)(C)C)oc12
InChIInChI=1S/C18H24O2/c1-11-8-13(17(2,3)4)9-12-10-14(20-15(11)12)16(19)18(5,6)7/h8-10H,1-7H3
InChIKeyJVXPJBRAWGZZMO-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.27
Rot. Bonds1

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

1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 65427836) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
PubChem CID65427836
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(C)(C)C)cc2cc(C(=O)C(C)(C)C)oc12
InChIInChI=1S/C18H24O2/c1-11-8-13(17(2,3)4)9-12-10-14(20-15(11)12)16(19)18(5,6)7/h8-10H,1-7H3
InChIKeyJVXPJBRAWGZZMO-UHFFFAOYSA-N
XLogP5.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.27
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)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one (CID 65427836) is 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one is Cc1cc(C(C)(C)C)cc2cc(C(=O)C(C)(C)C)oc12.
What is the InChIKey of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is JVXPJBRAWGZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-11-8-13(17(2,3)4)9-12-10-14(20-15(11)12)16(19)18(5,6)7/h8-10H,1-7H3.
What are the key properties of 1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 5.27, 1 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)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 65427836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).