2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone

C14H18O2 — CID 62029854

IUPAC2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
SMILESC=CCOCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H18O2/c1-5-6-16-9-13(15)14-11(3)7-10(2)8-12(14)4/h5,7-8H,1,6,9H2,2-4H3
InChIKeySCEMXPXONNMDRY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds5

About 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone

2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 62029854) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID62029854
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
SMILESC=CCOCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H18O2/c1-5-6-16-9-13(15)14-11(3)7-10(2)8-12(14)4/h5,7-8H,1,6,9H2,2-4H3
InChIKeySCEMXPXONNMDRY-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582
2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 114208464
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone (CID 62029854) is 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone is C=CCOCC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is SCEMXPXONNMDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-6-16-9-13(15)14-11(3)7-10(2)8-12(14)4/h5,7-8H,1,6,9H2,2-4H3.
What are the key properties of 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone?
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 62029854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).