2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one

C15H20O6 — CID 104675265

IUPAC2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H20O6/c1-5-20-14-10(16)8-13(14)21-9-6-11(17-2)15(19-4)12(7-9)18-3/h6-7,13-14H,5,8H2,1-4H3
InChIKeyDMHXYNUMJZGJLQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.84
Rot. Bonds7

About 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one

2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one (PubChem CID 104675265) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
PubChem CID104675265
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H20O6/c1-5-20-14-10(16)8-13(14)21-9-6-11(17-2)15(19-4)12(7-9)18-3/h6-7,13-14H,5,8H2,1-4H3
InChIKeyDMHXYNUMJZGJLQ-UHFFFAOYSA-N
XLogP1.84
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one?
The IUPAC name of 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one (CID 104675265) is 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one?
The canonical SMILES for 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one is CCOC1C(=O)CC1Oc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one?
The InChIKey is DMHXYNUMJZGJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-20-14-10(16)8-13(14)21-9-6-11(17-2)15(19-4)12(7-9)18-3/h6-7,13-14H,5,8H2,1-4H3.
What are the key properties of 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one?
2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one has a molecular weight of 296.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one is sourced from PubChem (CID 104675265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).