1-(2,4,6-triethylphenyl)prop-2-en-1-one

C15H20O — CID 103522560

IUPAC1-(2,4,6-triethylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(CC)cc(CC)cc1CC
InChIInChI=1S/C15H20O/c1-5-11-9-12(6-2)15(14(16)8-4)13(7-3)10-11/h8-10H,4-7H2,1-3H3
InChIKeyUINPJRKGDHJXLD-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,4,6-triethylphenyl)prop-2-en-1-one

1-(2,4,6-triethylphenyl)prop-2-en-1-one (PubChem CID 103522560) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2,4,6-triethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4,6-triethylphenyl)prop-2-en-1-one
PubChem CID103522560
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2,4,6-triethylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(CC)cc(CC)cc1CC
InChIInChI=1S/C15H20O/c1-5-11-9-12(6-2)15(14(16)8-4)13(7-3)10-11/h8-10H,4-7H2,1-3H3
InChIKeyUINPJRKGDHJXLD-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4,6-triethylbenzoyl iodide
CID 139959913
[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
CID 54544995
ethyl 2,4,6-triethylbenzoate
CID 12702183
3-chloro-1-(2,4,6-triethylphenyl)propan-1-one
CID 104645894
1-[2-hydroxy-4,6-bis(methoxymethyl)phenyl]prop-2-en-1-one
CID 123868054
ethylbenzene;1-phenylprop-2-en-1-one
CID 174476898
2,4-diethyl-N,6-dihydroxybenzamide
CID 45094929
(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
CID 107000810
diphenylphosphanyl-(2,4,6-triethylphenyl)methanone
CID 141148656
(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate
CID 164806330
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
(4-prop-2-enoylphenyl) 4-ethylbenzoate
CID 123505415

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-triethylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,4,6-triethylphenyl)prop-2-en-1-one (CID 103522560) is 1-(2,4,6-triethylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4,6-triethylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4,6-triethylphenyl)prop-2-en-1-one is C=CC(=O)c1c(CC)cc(CC)cc1CC.
What is the InChIKey of 1-(2,4,6-triethylphenyl)prop-2-en-1-one?
The InChIKey is UINPJRKGDHJXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-5-11-9-12(6-2)15(14(16)8-4)13(7-3)10-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(2,4,6-triethylphenyl)prop-2-en-1-one?
1-(2,4,6-triethylphenyl)prop-2-en-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-triethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 103522560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).