2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone

C15H22O4 — CID 103403707

IUPAC2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
SMILESCOCCOCCCOCC(=O)c1ccccc1C
InChIInChI=1S/C15H22O4/c1-13-6-3-4-7-14(13)15(16)12-19-9-5-8-18-11-10-17-2/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeyRZAOJCKZFHDFCH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.25
Rot. Bonds10

About 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone

2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone (PubChem CID 103403707) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
PubChem CID103403707
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
SMILESCOCCOCCCOCC(=O)c1ccccc1C
InChIInChI=1S/C15H22O4/c1-13-6-3-4-7-14(13)15(16)12-19-9-5-8-18-11-10-17-2/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeyRZAOJCKZFHDFCH-UHFFFAOYSA-N
XLogP2.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 103403801
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178840
2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
CID 174630360
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone
CID 64642016
2-[3-(2-methoxyethoxy)propylsulfanyl]benzoic acid
CID 103408928
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone (CID 103403707) is 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone is COCCOCCCOCC(=O)c1ccccc1C.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone?
The InChIKey is RZAOJCKZFHDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-13-6-3-4-7-14(13)15(16)12-19-9-5-8-18-11-10-17-2/h3-4,6-7H,5,8-12H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone?
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 2.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 103403707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).