ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate

C15H20O4 — CID 116875799

IUPACethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
SMILESCCOC(=O)C1(c2cc(C)c(C)cc2OC)COC1
InChIInChI=1S/C15H20O4/c1-5-19-14(16)15(8-18-9-15)12-6-10(2)11(3)7-13(12)17-4/h6-7H,5,8-9H2,1-4H3
InChIKeyQJGVXDTWFLCLCX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.14
Rot. Bonds4

About ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate

ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate (PubChem CID 116875799) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
PubChem CID116875799
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
SMILESCCOC(=O)C1(c2cc(C)c(C)cc2OC)COC1
InChIInChI=1S/C15H20O4/c1-5-19-14(16)15(8-18-9-15)12-6-10(2)11(3)7-13(12)17-4/h6-7H,5,8-9H2,1-4H3
InChIKeyQJGVXDTWFLCLCX-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

ethyl 3-(5-bromo-2-methoxyphenyl)oxetane-3-carboxylate
CID 116875798
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
CID 116876229
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843
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
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
CID 116989348

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate?
The IUPAC name of ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate (CID 116875799) is ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate is CCOC(=O)C1(c2cc(C)c(C)cc2OC)COC1.
What is the InChIKey of ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate?
The InChIKey is QJGVXDTWFLCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-19-14(16)15(8-18-9-15)12-6-10(2)11(3)7-13(12)17-4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate?
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate 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 ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate is sourced from PubChem (CID 116875799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).