2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one

C18H16O2 — CID 65426129

IUPAC2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
SMILESCC(C)C(=O)c1cc2cccc(-c3ccccc3)c2o1
InChIInChI=1S/C18H16O2/c1-12(2)17(19)16-11-14-9-6-10-15(18(14)20-16)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyKOQNZUVGJNYEJR-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.94
Rot. Bonds3

About 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one

2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one (PubChem CID 65426129) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
PubChem CID65426129
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
SMILESCC(C)C(=O)c1cc2cccc(-c3ccccc3)c2o1
InChIInChI=1S/C18H16O2/c1-12(2)17(19)16-11-14-9-6-10-15(18(14)20-16)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyKOQNZUVGJNYEJR-UHFFFAOYSA-N
XLogP4.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one (CID 65426129) is 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one is CC(C)C(=O)c1cc2cccc(-c3ccccc3)c2o1.
What is the InChIKey of 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one?
The InChIKey is KOQNZUVGJNYEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(2)17(19)16-11-14-9-6-10-15(18(14)20-16)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one?
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 65426129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).