3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one

C14H17BrO2 — CID 66368493

IUPAC3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(Br)cc1C
InChIInChI=1S/C14H17BrO2/c1-4-14(3)12(16)8-13(14)17-11-6-5-10(15)7-9(11)2/h5-7,13H,4,8H2,1-3H3
InChIKeySEEKLUJLOQMYKI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.89
Rot. Bonds3

About 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one

3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 66368493) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID66368493
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(Br)cc1C
InChIInChI=1S/C14H17BrO2/c1-4-14(3)12(16)8-13(14)17-11-6-5-10(15)7-9(11)2/h5-7,13H,4,8H2,1-3H3
InChIKeySEEKLUJLOQMYKI-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-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 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one (CID 66368493) is 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1Oc1ccc(Br)cc1C.
What is the InChIKey of 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is SEEKLUJLOQMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-4-14(3)12(16)8-13(14)17-11-6-5-10(15)7-9(11)2/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 297.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 66368493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).