2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one

C18H18O3 — CID 104675094

IUPAC2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-20-18-15(19)12-17(18)21-16-11-7-6-10-14(16)13-8-4-3-5-9-13/h3-11,17-18H,2,12H2,1H3
InChIKeyKKMKOAHWXOCMKT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.48
Rot. Bonds5

About 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one

2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one (PubChem CID 104675094) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one
PubChem CID104675094
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-20-18-15(19)12-17(18)21-16-11-7-6-10-14(16)13-8-4-3-5-9-13/h3-11,17-18H,2,12H2,1H3
InChIKeyKKMKOAHWXOCMKT-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one?
The IUPAC name of 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one (CID 104675094) is 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one?
The canonical SMILES for 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one is CCOC1C(=O)CC1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one?
The InChIKey is KKMKOAHWXOCMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-20-18-15(19)12-17(18)21-16-11-7-6-10-14(16)13-8-4-3-5-9-13/h3-11,17-18H,2,12H2,1H3.
What are the key properties of 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one?
2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 104675094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).