oxan-3-yl(phenyl)methanone

C12H14O2 — CID 63011351

IUPACoxan-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCCOC1
InChIInChI=1S/C12H14O2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-3,5-6,11H,4,7-9H2
InChIKeyFGGFDKJMMLLQIT-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.30
Rot. Bonds2

About oxan-3-yl(phenyl)methanone

oxan-3-yl(phenyl)methanone (PubChem CID 63011351) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is oxan-3-yl(phenyl)methanone.

Molecular Properties

Compound Nameoxan-3-yl(phenyl)methanone
PubChem CID63011351
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nameoxan-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCCOC1
InChIInChI=1S/C12H14O2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-3,5-6,11H,4,7-9H2
InChIKeyFGGFDKJMMLLQIT-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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Related Compounds

(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
[4-(2-aminoethyl)phenyl]-(oxan-3-yl)methanone
CID 107138390
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
5-(oxane-3-carbonyl)furan-2-carboxylic acid
CID 106946719
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
(3R)-oxane-3-carboxylic acid
CID 42554318
1-benzothiophen-3-yl(oxan-3-yl)methanone
CID 63012531
1-methyl-4-(oxane-3-carbonyl)pyrrole-2-carboxylic acid
CID 63010346
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(phenyl)methanone?
The IUPAC name of oxan-3-yl(phenyl)methanone (CID 63011351) is oxan-3-yl(phenyl)methanone.
What is the SMILES notation for oxan-3-yl(phenyl)methanone?
The canonical SMILES for oxan-3-yl(phenyl)methanone is O=C(c1ccccc1)C1CCCOC1.
What is the InChIKey of oxan-3-yl(phenyl)methanone?
The InChIKey is FGGFDKJMMLLQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-3,5-6,11H,4,7-9H2.
What are the key properties of oxan-3-yl(phenyl)methanone?
oxan-3-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-3-yl(phenyl)methanone is sourced from PubChem (CID 63011351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).