1-dibenzofuran-2-yl-3-methylbutan-1-one

C17H16O2 — CID 43160223

IUPAC1-dibenzofuran-2-yl-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H16O2/c1-11(2)9-15(18)12-7-8-17-14(10-12)13-5-3-4-6-16(13)19-17/h3-8,10-11H,9H2,1-2H3
InChIKeyIUKXHAARCVPMHA-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.81
Rot. Bonds3

About 1-dibenzofuran-2-yl-3-methylbutan-1-one

1-dibenzofuran-2-yl-3-methylbutan-1-one (PubChem CID 43160223) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-3-methylbutan-1-one.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-3-methylbutan-1-one
PubChem CID43160223
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-dibenzofuran-2-yl-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H16O2/c1-11(2)9-15(18)12-7-8-17-14(10-12)13-5-3-4-6-16(13)19-17/h3-8,10-11H,9H2,1-2H3
InChIKeyIUKXHAARCVPMHA-UHFFFAOYSA-N
XLogP4.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-3-methylbutan-1-one?
The IUPAC name of 1-dibenzofuran-2-yl-3-methylbutan-1-one (CID 43160223) is 1-dibenzofuran-2-yl-3-methylbutan-1-one.
What is the SMILES notation for 1-dibenzofuran-2-yl-3-methylbutan-1-one?
The canonical SMILES for 1-dibenzofuran-2-yl-3-methylbutan-1-one is CC(C)CC(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-3-methylbutan-1-one?
The InChIKey is IUKXHAARCVPMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11(2)9-15(18)12-7-8-17-14(10-12)13-5-3-4-6-16(13)19-17/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-dibenzofuran-2-yl-3-methylbutan-1-one?
1-dibenzofuran-2-yl-3-methylbutan-1-one has a molecular weight of 252.31 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-3-methylbutan-1-one is sourced from PubChem (CID 43160223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).