2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one

C15H22O3 — CID 116710279

IUPAC2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCCOC(C)(C)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-6-17-15(4,5)14(16)12-7-9-13(10-8-12)18-11(2)3/h7-11H,6H2,1-5H3
InChIKeyVIKCWJJUHSLAEH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.47
Rot. Bonds6

About 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one

2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 116710279) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID116710279
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCCOC(C)(C)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-6-17-15(4,5)14(16)12-7-9-13(10-8-12)18-11(2)3/h7-11H,6H2,1-5H3
InChIKeyVIKCWJJUHSLAEH-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 79061219
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 116752665
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 116709705
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 116710279) is 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one is CCOC(C)(C)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is VIKCWJJUHSLAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-17-15(4,5)14(16)12-7-9-13(10-8-12)18-11(2)3/h7-11H,6H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one?
2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 116710279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).