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

C14H18O2 — CID 43159907

IUPACoxolan-2-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCCO2)c(C)c1
InChIInChI=1S/C14H18O2/c1-9-7-10(2)13(11(3)8-9)14(15)12-5-4-6-16-12/h7-8,12H,4-6H2,1-3H3
InChIKeyKSFKGKMHELSTPJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.97
Rot. Bonds2

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

oxolan-2-yl-(2,4,6-trimethylphenyl)methanone (PubChem CID 43159907) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is oxolan-2-yl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(2,4,6-trimethylphenyl)methanone
PubChem CID43159907
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameoxolan-2-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCCO2)c(C)c1
InChIInChI=1S/C14H18O2/c1-9-7-10(2)13(11(3)8-9)14(15)12-5-4-6-16-12/h7-8,12H,4-6H2,1-3H3
InChIKeyKSFKGKMHELSTPJ-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze oxolan-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

oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
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
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2,6-difluorophenyl)-(oxolan-2-yl)methanone
CID 65331301
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone
CID 130527330
(4-tert-butyl-2,6-dimethylphenyl)-(oxiran-2-yl)methanone
CID 116826456
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of oxolan-2-yl-(2,4,6-trimethylphenyl)methanone (CID 43159907) is oxolan-2-yl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for oxolan-2-yl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for oxolan-2-yl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCCO2)c(C)c1.
What is the InChIKey of oxolan-2-yl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is KSFKGKMHELSTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-7-10(2)13(11(3)8-9)14(15)12-5-4-6-16-12/h7-8,12H,4-6H2,1-3H3.
What are the key properties of oxolan-2-yl-(2,4,6-trimethylphenyl)methanone?
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43159907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).