2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone

C15H22O5 — CID 104563929

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOCCOCCOCC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C15H22O5/c1-12-4-5-13(15(10-12)18-3)14(16)11-20-9-8-19-7-6-17-2/h4-5,10H,6-9,11H2,1-3H3
InChIKeyZNFMBWSPJZTCTC-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.87
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone

2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 104563929) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID104563929
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOCCOCCOCC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C15H22O5/c1-12-4-5-13(15(10-12)18-3)14(16)11-20-9-8-19-7-6-17-2/h4-5,10H,6-9,11H2,1-3H3
InChIKeyZNFMBWSPJZTCTC-UHFFFAOYSA-N
XLogP1.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
CID 104563843
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
1-(2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanone
CID 43799182
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone (CID 104563929) is 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone is COCCOCCOCC(=O)c1ccc(C)cc1OC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is ZNFMBWSPJZTCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-12-4-5-13(15(10-12)18-3)14(16)11-20-9-8-19-7-6-17-2/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone?
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 282.34 g/mol, XLogP of 1.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 104563929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).