oxan-4-yl-(4-propan-2-ylphenyl)methanone

C15H20O2 — CID 62905290

IUPACoxan-4-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCOCC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)12-3-5-13(6-4-12)15(16)14-7-9-17-10-8-14/h3-6,11,14H,7-10H2,1-2H3
InChIKeyDGQRAWKXGZNFTQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.42
Rot. Bonds3

About oxan-4-yl-(4-propan-2-ylphenyl)methanone

oxan-4-yl-(4-propan-2-ylphenyl)methanone (PubChem CID 62905290) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is oxan-4-yl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-propan-2-ylphenyl)methanone
PubChem CID62905290
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameoxan-4-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCOCC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)12-3-5-13(6-4-12)15(16)14-7-9-17-10-8-14/h3-6,11,14H,7-10H2,1-2H3
InChIKeyDGQRAWKXGZNFTQ-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide
CID 146567949
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-propan-2-ylphenyl)methanone
CID 171947850
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
(2S)-2-[4-(cyclohexanecarbonyl)phenyl]propanoic acid
CID 57323646
methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate
CID 125466574
oxan-4-yl(thiophen-3-yl)methanone
CID 18994237

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of oxan-4-yl-(4-propan-2-ylphenyl)methanone (CID 62905290) is oxan-4-yl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for oxan-4-yl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for oxan-4-yl-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C2CCOCC2)cc1.
What is the InChIKey of oxan-4-yl-(4-propan-2-ylphenyl)methanone?
The InChIKey is DGQRAWKXGZNFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)12-3-5-13(6-4-12)15(16)14-7-9-17-10-8-14/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of oxan-4-yl-(4-propan-2-ylphenyl)methanone?
oxan-4-yl-(4-propan-2-ylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 62905290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).