3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one

C15H20O2 — CID 81415576

IUPAC3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCOc1cccc(C2CC(=O)C2(C)CC)c1
InChIInChI=1S/C15H20O2/c1-4-15(3)13(10-14(15)16)11-7-6-8-12(9-11)17-5-2/h6-9,13H,4-5,10H2,1-3H3
InChIKeyLNBIMZFCDDDGJB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds4

About 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one

3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 81415576) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID81415576
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCOc1cccc(C2CC(=O)C2(C)CC)c1
InChIInChI=1S/C15H20O2/c1-4-15(3)13(10-14(15)16)11-7-6-8-12(9-11)17-5-2/h6-9,13H,4-5,10H2,1-3H3
InChIKeyLNBIMZFCDDDGJB-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66107639
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183868
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one
CID 81416751
3-bromo-4-(3-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106695233
4-(3-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997436

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one (CID 81415576) is 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one is CCOc1cccc(C2CC(=O)C2(C)CC)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is LNBIMZFCDDDGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-15(3)13(10-14(15)16)11-7-6-8-12(9-11)17-5-2/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one?
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 81415576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).