1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one

C16H22O3 — CID 116873879

IUPAC1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one
SMILESCOc1c(C)c(C)cc(C)c1C1(CC(C)=O)COC1
InChIInChI=1S/C16H22O3/c1-10-6-11(2)14(15(18-5)13(10)4)16(7-12(3)17)8-19-9-16/h6H,7-9H2,1-5H3
InChIKeyYPZSLOWHLYXWTI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one

1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one (PubChem CID 116873879) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one
PubChem CID116873879
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one
SMILESCOc1c(C)c(C)cc(C)c1C1(CC(C)=O)COC1
InChIInChI=1S/C16H22O3/c1-10-6-11(2)14(15(18-5)13(10)4)16(7-12(3)17)8-19-9-16/h6H,7-9H2,1-5H3
InChIKeyYPZSLOWHLYXWTI-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one 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

[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]methanethiol
CID 116872520
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine
CID 116872712
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
CID 116864143
4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one
CID 116873902
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
3-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]propanoic acid
CID 116871930
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
CID 116871462
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one?
The IUPAC name of 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one (CID 116873879) is 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one.
What is the SMILES notation for 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one?
The canonical SMILES for 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one is COc1c(C)c(C)cc(C)c1C1(CC(C)=O)COC1.
What is the InChIKey of 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one?
The InChIKey is YPZSLOWHLYXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-6-11(2)14(15(18-5)13(10)4)16(7-12(3)17)8-19-9-16/h6H,7-9H2,1-5H3.
What are the key properties of 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one?
1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one is sourced from PubChem (CID 116873879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).