1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone

C15H22O3 — CID 112687479

IUPAC1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCCOC(C)(C)C
InChIInChI=1S/C15H22O3/c1-11-6-7-13(12(2)16)14(10-11)17-8-9-18-15(3,4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyDGCSLCLMBGHUQL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone

1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone (PubChem CID 112687479) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
PubChem CID112687479
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCCOC(C)(C)C
InChIInChI=1S/C15H22O3/c1-11-6-7-13(12(2)16)14(10-11)17-8-9-18-15(3,4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyDGCSLCLMBGHUQL-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
1-[2-(4,4-dimethylpent-2-ynoxy)-4-methylphenyl]ethanone
CID 114189947
5-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarbothioamide
CID 114017189
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
1-[4-methyl-2-(2-methylbut-3-yn-2-yloxy)phenyl]ethanone
CID 118066869
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
1-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 82001830
[4-acetyl-3-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxyphenyl] 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
CID 71731109
1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
CID 63651606
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone (CID 112687479) is 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone is CC(=O)c1ccc(C)cc1OCCOC(C)(C)C.
What is the InChIKey of 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
The InChIKey is DGCSLCLMBGHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-6-7-13(12(2)16)14(10-11)17-8-9-18-15(3,4)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 112687479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).