3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one

C14H18O2 — CID 66368834

IUPAC3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
SMILESCCc1ccc(OC2CC(=O)C2(C)C)cc1
InChIInChI=1S/C14H18O2/c1-4-10-5-7-11(8-6-10)16-13-9-12(15)14(13,2)3/h5-8,13H,4,9H2,1-3H3
InChIKeyXISRBYAHSYRSLB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds3

About 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one

3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one (PubChem CID 66368834) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
PubChem CID66368834
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
SMILESCCc1ccc(OC2CC(=O)C2(C)C)cc1
InChIInChI=1S/C14H18O2/c1-4-10-5-7-11(8-6-10)16-13-9-12(15)14(13,2)3/h5-8,13H,4,9H2,1-3H3
InChIKeyXISRBYAHSYRSLB-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one (CID 66368834) is 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one is CCc1ccc(OC2CC(=O)C2(C)C)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one?
The InChIKey is XISRBYAHSYRSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-10-5-7-11(8-6-10)16-13-9-12(15)14(13,2)3/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one?
3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 66368834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).