3-(3,4-dimethylphenoxy)cyclobutan-1-one

C12H14O2 — CID 66366173

IUPAC3-(3,4-dimethylphenoxy)cyclobutan-1-one
SMILESCc1ccc(OC2CC(=O)C2)cc1C
InChIInChI=1S/C12H14O2/c1-8-3-4-11(5-9(8)2)14-12-6-10(13)7-12/h3-5,12H,6-7H2,1-2H3
InChIKeyJYKLLYDOZQPUFJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.41
Rot. Bonds2

About 3-(3,4-dimethylphenoxy)cyclobutan-1-one

3-(3,4-dimethylphenoxy)cyclobutan-1-one (PubChem CID 66366173) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)cyclobutan-1-one
PubChem CID66366173
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(3,4-dimethylphenoxy)cyclobutan-1-one
SMILESCc1ccc(OC2CC(=O)C2)cc1C
InChIInChI=1S/C12H14O2/c1-8-3-4-11(5-9(8)2)14-12-6-10(13)7-12/h3-5,12H,6-7H2,1-2H3
InChIKeyJYKLLYDOZQPUFJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)cyclobutan-1-one?
The IUPAC name of 3-(3,4-dimethylphenoxy)cyclobutan-1-one (CID 66366173) is 3-(3,4-dimethylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)cyclobutan-1-one?
The canonical SMILES for 3-(3,4-dimethylphenoxy)cyclobutan-1-one is Cc1ccc(OC2CC(=O)C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)cyclobutan-1-one?
The InChIKey is JYKLLYDOZQPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-3-4-11(5-9(8)2)14-12-6-10(13)7-12/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenoxy)cyclobutan-1-one?
3-(3,4-dimethylphenoxy)cyclobutan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 66366173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).