2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone

C15H20O2 — CID 106203148

IUPAC2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCCC2CC2)c(C)c1
InChIInChI=1S/C15H20O2/c1-11-3-6-14(12(2)9-11)15(16)10-17-8-7-13-4-5-13/h3,6,9,13H,4-5,7-8,10H2,1-2H3
InChIKeyWYXZPRRVYLVESA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone

2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 106203148) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
PubChem CID106203148
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCCC2CC2)c(C)c1
InChIInChI=1S/C15H20O2/c1-11-3-6-14(12(2)9-11)15(16)10-17-8-7-13-4-5-13/h3,6,9,13H,4-5,7-8,10H2,1-2H3
InChIKeyWYXZPRRVYLVESA-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956283
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
CID 106203157
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
4-[2-(2-cyclopropylethoxy)acetyl]benzonitrile
CID 106203248
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone (CID 106203148) is 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COCCC2CC2)c(C)c1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is WYXZPRRVYLVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-3-6-14(12(2)9-11)15(16)10-17-8-7-13-4-5-13/h3,6,9,13H,4-5,7-8,10H2,1-2H3.
What are the key properties of 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone?
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 106203148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).