2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one

C16H20O2 — CID 65427274

IUPAC2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one
SMILESCC(C)c1cccc2cc(C(=O)C(C)(C)C)oc12
InChIInChI=1S/C16H20O2/c1-10(2)12-8-6-7-11-9-13(18-14(11)12)15(17)16(3,4)5/h6-10H,1-5H3
InChIKeyLVGSOGBCHQZBGR-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.78
Rot. Bonds2

About 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one

2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one (PubChem CID 65427274) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one
PubChem CID65427274
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one
SMILESCC(C)c1cccc2cc(C(=O)C(C)(C)C)oc12
InChIInChI=1S/C16H20O2/c1-10(2)12-8-6-7-11-9-13(18-14(11)12)15(17)16(3,4)5/h6-10H,1-5H3
InChIKeyLVGSOGBCHQZBGR-UHFFFAOYSA-N
XLogP4.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one (CID 65427274) is 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one is CC(C)c1cccc2cc(C(=O)C(C)(C)C)oc12.
What is the InChIKey of 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one?
The InChIKey is LVGSOGBCHQZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10(2)12-8-6-7-11-9-13(18-14(11)12)15(17)16(3,4)5/h6-10H,1-5H3.
What are the key properties of 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one?
2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one has a molecular weight of 244.33 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 65427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).