1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one

C14H20O3 — CID 43411658

IUPAC1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
SMILESCCOc1ccc(OCC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H20O3/c1-5-16-11-6-8-12(9-7-11)17-10-13(15)14(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyLJCAYJKZCBWKJZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one

1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one (PubChem CID 43411658) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
PubChem CID43411658
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
SMILESCCOc1ccc(OCC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H20O3/c1-5-16-11-6-8-12(9-7-11)17-10-13(15)14(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyLJCAYJKZCBWKJZ-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodophenoxy)-3,3-dimethylbutan-2-one
CID 60626826
1-(2,1,3-benzoxadiazol-5-yloxy)-3,3-dimethylbutan-2-one
CID 545372
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
(E)-3-(4-ethoxyphenyl)-4,4-dimethylpent-2-enoic acid
CID 82086838
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
3,3-dimethyl-1-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]butan-2-one
CID 22360149
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one (CID 43411658) is 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one is CCOc1ccc(OCC(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one?
The InChIKey is LJCAYJKZCBWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-16-11-6-8-12(9-7-11)17-10-13(15)14(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one?
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 43411658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).