2-phenyloxan-4-one

C11H12O2 — CID 18976535

IUPAC2-phenyloxan-4-one
SMILESO=C1CCOC(c2ccccc2)C1
InChIInChI=1S/C11H12O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyWDYWHODSDKVYAL-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.11
Rot. Bonds1

About 2-phenyloxan-4-one

2-phenyloxan-4-one (PubChem CID 18976535) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-phenyloxan-4-one.

Molecular Properties

Compound Name2-phenyloxan-4-one
PubChem CID18976535
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-phenyloxan-4-one
SMILESO=C1CCOC(c2ccccc2)C1
InChIInChI=1S/C11H12O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyWDYWHODSDKVYAL-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyloxan-4-one?
The IUPAC name of 2-phenyloxan-4-one (CID 18976535) is 2-phenyloxan-4-one.
What is the SMILES notation for 2-phenyloxan-4-one?
The canonical SMILES for 2-phenyloxan-4-one is O=C1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-phenyloxan-4-one?
The InChIKey is WDYWHODSDKVYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of 2-phenyloxan-4-one?
2-phenyloxan-4-one has a molecular weight of 176.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyloxan-4-one is sourced from PubChem (CID 18976535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).