1-(2,4,6-trimethylphenyl)pent-4-en-1-one

C14H18O — CID 83700582

IUPAC1-(2,4,6-trimethylphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H18O/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOBZOOARBOMUOTO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.76
Rot. Bonds4

About 1-(2,4,6-trimethylphenyl)pent-4-en-1-one

1-(2,4,6-trimethylphenyl)pent-4-en-1-one (PubChem CID 83700582) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)pent-4-en-1-one
PubChem CID83700582
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(2,4,6-trimethylphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H18O/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOBZOOARBOMUOTO-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
1-(2,4,5-trimethylfuran-3-yl)pent-4-en-1-one
CID 114974974
1-(4-chloro-3-methylphenyl)pent-4-en-1-one
CID 114974964
3,5-dimethyl-2-(pent-4-enoylamino)benzoic acid
CID 63112138
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one
CID 177043900
1-(3-methoxy-4-methylphenyl)pent-4-en-1-one
CID 114974988

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
The IUPAC name of 1-(2,4,6-trimethylphenyl)pent-4-en-1-one (CID 83700582) is 1-(2,4,6-trimethylphenyl)pent-4-en-1-one.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)pent-4-en-1-one is C=CCCC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
The InChIKey is OBZOOARBOMUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)pent-4-en-1-one?
1-(2,4,6-trimethylphenyl)pent-4-en-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)pent-4-en-1-one is sourced from PubChem (CID 83700582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).