3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one

C14H18O2 — CID 81415089

IUPAC3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
SMILESCCOc1cccc(C2CC(=O)C2(C)C)c1
InChIInChI=1S/C14H18O2/c1-4-16-11-7-5-6-10(8-11)12-9-13(15)14(12,2)3/h5-8,12H,4,9H2,1-3H3
InChIKeyMMHXKLYOVHDESC-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.17
Rot. Bonds3

About 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one

3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one (PubChem CID 81415089) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
PubChem CID81415089
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
SMILESCCOc1cccc(C2CC(=O)C2(C)C)c1
InChIInChI=1S/C14H18O2/c1-4-16-11-7-5-6-10(8-11)12-9-13(15)14(12,2)3/h5-8,12H,4,9H2,1-3H3
InChIKeyMMHXKLYOVHDESC-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576
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5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
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CID 62354565
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
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
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2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
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CID 3796046

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one (CID 81415089) is 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one is CCOc1cccc(C2CC(=O)C2(C)C)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one?
The InChIKey is MMHXKLYOVHDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-16-11-7-5-6-10(8-11)12-9-13(15)14(12,2)3/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one?
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 81415089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).