methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate

C14H18O5 — CID 116989348

IUPACmethyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
SMILESCCOc1cc(C2(C(=O)OC)COC2)ccc1OC
InChIInChI=1S/C14H18O5/c1-4-19-12-7-10(5-6-11(12)16-2)14(8-18-9-14)13(15)17-3/h5-7H,4,8-9H2,1-3H3
InChIKeyGLPKWHCRJBPQIX-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.53
Rot. Bonds5

About methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate

methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate (PubChem CID 116989348) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
PubChem CID116989348
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
SMILESCCOc1cc(C2(C(=O)OC)COC2)ccc1OC
InChIInChI=1S/C14H18O5/c1-4-19-12-7-10(5-6-11(12)16-2)14(8-18-9-14)13(15)17-3/h5-7H,4,8-9H2,1-3H3
InChIKeyGLPKWHCRJBPQIX-UHFFFAOYSA-N
XLogP1.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116989347
1-[3-(3-chloro-4-ethoxyphenyl)oxetan-3-yl]ethanone
CID 116873724
methyl 2-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 86045599
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
methyl 3-[(4-ethoxy-3-fluorophenyl)methyl]oxetane-3-carboxylate
CID 116930235
methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate
CID 116873514
ethyl 3-(5-bromo-2-methoxyphenyl)oxetane-3-carboxylate
CID 116875798
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate (CID 116989348) is methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate is CCOc1cc(C2(C(=O)OC)COC2)ccc1OC.
What is the InChIKey of methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate?
The InChIKey is GLPKWHCRJBPQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-19-12-7-10(5-6-11(12)16-2)14(8-18-9-14)13(15)17-3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate?
methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate is sourced from PubChem (CID 116989348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).