oxan-2-yl-(2,4,6-trimethylphenyl)methanone

C15H20O2 — CID 62214214

IUPACoxan-2-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCCCO2)c(C)c1
InChIInChI=1S/C15H20O2/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-17-13/h8-9,13H,4-7H2,1-3H3
InChIKeySXWMCWSGEHXHLI-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.36
Rot. Bonds2

About oxan-2-yl-(2,4,6-trimethylphenyl)methanone

oxan-2-yl-(2,4,6-trimethylphenyl)methanone (PubChem CID 62214214) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is oxan-2-yl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Nameoxan-2-yl-(2,4,6-trimethylphenyl)methanone
PubChem CID62214214
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameoxan-2-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCCCO2)c(C)c1
InChIInChI=1S/C15H20O2/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-17-13/h8-9,13H,4-7H2,1-3H3
InChIKeySXWMCWSGEHXHLI-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze oxan-2-yl-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
CID 106680079
(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62214771
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
thian-2-yl-(2,4,6-trimethylphenyl)methanone
CID 80594784
2-(oxolan-2-ylmethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106497039
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of oxan-2-yl-(2,4,6-trimethylphenyl)methanone (CID 62214214) is oxan-2-yl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for oxan-2-yl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for oxan-2-yl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCCCO2)c(C)c1.
What is the InChIKey of oxan-2-yl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is SXWMCWSGEHXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-17-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of oxan-2-yl-(2,4,6-trimethylphenyl)methanone?
oxan-2-yl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 62214214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).