1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone

C15H20O2 — CID 71736271

IUPAC1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc(C)c2c(c1C)C(C)(C)C(C)O2
InChIInChI=1S/C15H20O2/c1-8-7-12(10(3)16)9(2)13-14(8)17-11(4)15(13,5)6/h7,11H,1-6H3
InChIKeyWDEDHYDMPVQIEU-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds1

About 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone

1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone (PubChem CID 71736271) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone
PubChem CID71736271
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc(C)c2c(c1C)C(C)(C)C(C)O2
InChIInChI=1S/C15H20O2/c1-8-7-12(10(3)16)9(2)13-14(8)17-11(4)15(13,5)6/h7,11H,1-6H3
InChIKeyWDEDHYDMPVQIEU-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone (CID 71736271) is 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone is CC(=O)c1cc(C)c2c(c1C)C(C)(C)C(C)O2.
What is the InChIKey of 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone?
The InChIKey is WDEDHYDMPVQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-8-7-12(10(3)16)9(2)13-14(8)17-11(4)15(13,5)6/h7,11H,1-6H3.
What are the key properties of 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone?
1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3,4,7-pentamethyl-2H-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 71736271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).