oxan-4-yl(phenyl)methanone

C12H14O2 — CID 54593414

IUPACoxan-4-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCOCC1
InChIInChI=1S/C12H14O2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11H,6-9H2
InChIKeyGLRSKPCBJZOJGG-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.30
Rot. Bonds2

About oxan-4-yl(phenyl)methanone

oxan-4-yl(phenyl)methanone (PubChem CID 54593414) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is oxan-4-yl(phenyl)methanone.

Molecular Properties

Compound Nameoxan-4-yl(phenyl)methanone
PubChem CID54593414
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nameoxan-4-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCOCC1
InChIInChI=1S/C12H14O2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11H,6-9H2
InChIKeyGLRSKPCBJZOJGG-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(phenyl)methanone?
The IUPAC name of oxan-4-yl(phenyl)methanone (CID 54593414) is oxan-4-yl(phenyl)methanone.
What is the SMILES notation for oxan-4-yl(phenyl)methanone?
The canonical SMILES for oxan-4-yl(phenyl)methanone is O=C(c1ccccc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(phenyl)methanone?
The InChIKey is GLRSKPCBJZOJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11H,6-9H2.
What are the key properties of oxan-4-yl(phenyl)methanone?
oxan-4-yl(phenyl)methanone has a molecular weight of 190.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(phenyl)methanone is sourced from PubChem (CID 54593414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).