2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one

C15H20O3 — CID 104675205

IUPAC2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
SMILESCCCc1ccc(OC2CC(=O)C2OCC)cc1
InChIInChI=1S/C15H20O3/c1-3-5-11-6-8-12(9-7-11)18-14-10-13(16)15(14)17-4-2/h6-9,14-15H,3-5,10H2,1-2H3
InChIKeyCUZQIDZLVGPSOF-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.76
Rot. Bonds6

About 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one

2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one (PubChem CID 104675205) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
PubChem CID104675205
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
SMILESCCCc1ccc(OC2CC(=O)C2OCC)cc1
InChIInChI=1S/C15H20O3/c1-3-5-11-6-8-12(9-7-11)18-14-10-13(16)15(14)17-4-2/h6-9,14-15H,3-5,10H2,1-2H3
InChIKeyCUZQIDZLVGPSOF-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-one
CID 104675191
3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942231
2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
CID 104675265
2-ethoxy-3-(3-nitrophenoxy)cyclobutan-1-one
CID 113439855
2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one
CID 104675094
3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
CID 114018819
1-cyclobutyloxy-4-propylbenzene
CID 178141621
(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol
CID 175660928
3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
CID 107942210
3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
CID 104675178
1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
CID 178142508

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one?
The IUPAC name of 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one (CID 104675205) is 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one?
The canonical SMILES for 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one is CCCc1ccc(OC2CC(=O)C2OCC)cc1.
What is the InChIKey of 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one?
The InChIKey is CUZQIDZLVGPSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-5-11-6-8-12(9-7-11)18-14-10-13(16)15(14)17-4-2/h6-9,14-15H,3-5,10H2,1-2H3.
What are the key properties of 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one?
2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 104675205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).