2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one

C16H22O3 — CID 107942317

IUPAC2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C16H22O3/c1-5-6-18-16-13(17)9-14(16)19-15-11(3)7-10(2)8-12(15)4/h7-8,14,16H,5-6,9H2,1-4H3
InChIKeyOSTWIHSBPZWATM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.13
Rot. Bonds5

About 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one

2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one (PubChem CID 107942317) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
PubChem CID107942317
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C16H22O3/c1-5-6-18-16-13(17)9-14(16)19-15-11(3)7-10(2)8-12(15)4/h7-8,14,16H,5-6,9H2,1-4H3
InChIKeyOSTWIHSBPZWATM-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one?
The IUPAC name of 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one (CID 107942317) is 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one?
The canonical SMILES for 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one is CCCOC1C(=O)CC1Oc1c(C)cc(C)cc1C.
What is the InChIKey of 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one?
The InChIKey is OSTWIHSBPZWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-6-18-16-13(17)9-14(16)19-15-11(3)7-10(2)8-12(15)4/h7-8,14,16H,5-6,9H2,1-4H3.
What are the key properties of 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one?
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 107942317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).