3-dibenzofuran-2-yloxycyclohexan-1-one

C18H16O3 — CID 79626669

IUPAC3-dibenzofuran-2-yloxycyclohexan-1-one
SMILESO=C1CCCC(Oc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C18H16O3/c19-12-4-3-5-13(10-12)20-14-8-9-18-16(11-14)15-6-1-2-7-17(15)21-18/h1-2,6-9,11,13H,3-5,10H2
InChIKeyKSVXPMNWQHJLBN-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.48
Rot. Bonds2

About 3-dibenzofuran-2-yloxycyclohexan-1-one

3-dibenzofuran-2-yloxycyclohexan-1-one (PubChem CID 79626669) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-dibenzofuran-2-yloxycyclohexan-1-one.

Molecular Properties

Compound Name3-dibenzofuran-2-yloxycyclohexan-1-one
PubChem CID79626669
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name3-dibenzofuran-2-yloxycyclohexan-1-one
SMILESO=C1CCCC(Oc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C18H16O3/c19-12-4-3-5-13(10-12)20-14-8-9-18-16(11-14)15-6-1-2-7-17(15)21-18/h1-2,6-9,11,13H,3-5,10H2
InChIKeyKSVXPMNWQHJLBN-UHFFFAOYSA-N
XLogP4.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yloxycyclohexan-1-one?
The IUPAC name of 3-dibenzofuran-2-yloxycyclohexan-1-one (CID 79626669) is 3-dibenzofuran-2-yloxycyclohexan-1-one.
What is the SMILES notation for 3-dibenzofuran-2-yloxycyclohexan-1-one?
The canonical SMILES for 3-dibenzofuran-2-yloxycyclohexan-1-one is O=C1CCCC(Oc2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of 3-dibenzofuran-2-yloxycyclohexan-1-one?
The InChIKey is KSVXPMNWQHJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-12-4-3-5-13(10-12)20-14-8-9-18-16(11-14)15-6-1-2-7-17(15)21-18/h1-2,6-9,11,13H,3-5,10H2.
What are the key properties of 3-dibenzofuran-2-yloxycyclohexan-1-one?
3-dibenzofuran-2-yloxycyclohexan-1-one has a molecular weight of 280.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yloxycyclohexan-1-one is sourced from PubChem (CID 79626669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).