1-(5-tert-butyl-1-benzofuran-3-yl)ethanone

C14H16O2 — CID 167542802

IUPAC1-(5-tert-butyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1coc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C14H16O2/c1-9(15)12-8-16-13-6-5-10(7-11(12)13)14(2,3)4/h5-8H,1-4H3
InChIKeyVNCPVBWWPWOXLS-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.93
Rot. Bonds1

About 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone

1-(5-tert-butyl-1-benzofuran-3-yl)ethanone (PubChem CID 167542802) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-1-benzofuran-3-yl)ethanone
PubChem CID167542802
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(5-tert-butyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1coc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C14H16O2/c1-9(15)12-8-16-13-6-5-10(7-11(12)13)14(2,3)4/h5-8H,1-4H3
InChIKeyVNCPVBWWPWOXLS-UHFFFAOYSA-N
XLogP3.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
2,8-ditert-butyldibenzofuran
CID 14914466
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 23889660
6-tert-butyl-3-chloro-1-benzofuran
CID 153011852
1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone
CID 137330480
2-[5-(2-phenylpropan-2-yl)-1-benzofuran-3-yl]acetic acid
CID 9158963
3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
2,7-ditert-butylxanthen-9-one
CID 10859809
1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
CID 155207613
2-(3-methyl-1-benzofuran-6-yl)propan-2-ol
CID 117204962

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone (CID 167542802) is 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone is CC(=O)c1coc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone?
The InChIKey is VNCPVBWWPWOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9(15)12-8-16-13-6-5-10(7-11(12)13)14(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-(5-tert-butyl-1-benzofuran-3-yl)ethanone?
1-(5-tert-butyl-1-benzofuran-3-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 3.93, 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-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 167542802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).