1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone

C16H24O4 — CID 60862201

IUPAC1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1COCCOC(C)C
InChIInChI=1S/C16H24O4/c1-5-19-16-7-6-14(13(4)17)10-15(16)11-18-8-9-20-12(2)3/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyGNDXHDAZOHTMLQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.23
Rot. Bonds9

About 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone

1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone (PubChem CID 60862201) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone
PubChem CID60862201
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1COCCOC(C)C
InChIInChI=1S/C16H24O4/c1-5-19-16-7-6-14(13(4)17)10-15(16)11-18-8-9-20-12(2)3/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyGNDXHDAZOHTMLQ-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-ethoxy-3-(3-methylbutoxymethyl)phenyl]ethanone
CID 60861705
1-[3-(2,2-difluoroethoxymethyl)-4-ethoxyphenyl]ethanone
CID 82005623
1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 60627754
1-[4-ethoxy-3-(2-methylbutylsulfinylmethyl)phenyl]ethanone
CID 103746908
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
1-[4-ethoxy-3-(3-hydroxybutan-2-ylsulfanylmethyl)phenyl]ethanone
CID 103705798
1-[4-ethoxy-3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]ethanone
CID 103705371
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
1-[3-(tert-butylsulfonylmethyl)-4-ethoxyphenyl]ethanone
CID 64642742
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849524
(5-acetyl-2-ethoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629792
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone (CID 60862201) is 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone is CCOc1ccc(C(C)=O)cc1COCCOC(C)C.
What is the InChIKey of 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone?
The InChIKey is GNDXHDAZOHTMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-19-16-7-6-14(13(4)17)10-15(16)11-18-8-9-20-12(2)3/h6-7,10,12H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone?
1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone has a molecular weight of 280.36 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone is sourced from PubChem (CID 60862201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).