methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate

C15H20O4 — CID 116873446

IUPACmethyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
SMILESCOC(=O)CC1(c2cc(C)c(OC)cc2C)COC1
InChIInChI=1S/C15H20O4/c1-10-6-13(17-3)11(2)5-12(10)15(8-19-9-15)7-14(16)18-4/h5-6H,7-9H2,1-4H3
InChIKeySLHXWIMXLWGXKS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate

methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate (PubChem CID 116873446) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
PubChem CID116873446
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
SMILESCOC(=O)CC1(c2cc(C)c(OC)cc2C)COC1
InChIInChI=1S/C15H20O4/c1-10-6-13(17-3)11(2)5-12(10)15(8-19-9-15)7-14(16)18-4/h5-6H,7-9H2,1-4H3
InChIKeySLHXWIMXLWGXKS-UHFFFAOYSA-N
XLogP2.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
methyl 2-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]acetate
CID 116873444
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
CID 116872267
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
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]ethanone
CID 116873741
3-[(4-methoxy-2,5-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248282

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate (CID 116873446) is methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate is COC(=O)CC1(c2cc(C)c(OC)cc2C)COC1.
What is the InChIKey of methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate?
The InChIKey is SLHXWIMXLWGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-6-13(17-3)11(2)5-12(10)15(8-19-9-15)7-14(16)18-4/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate?
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate is sourced from PubChem (CID 116873446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).