4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one

C18H26O2 — CID 153346340

IUPAC4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one
SMILESC=C(C)COc1cc(C)cc(C)c1C(C)(C)CC(C)=O
InChIInChI=1S/C18H26O2/c1-12(2)11-20-16-9-13(3)8-14(4)17(16)18(6,7)10-15(5)19/h8-9H,1,10-11H2,2-7H3
InChIKeyZLPOCWFXVUHSHL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.52
Rot. Bonds6

About 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one

4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one (PubChem CID 153346340) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one.

Molecular Properties

Compound Name4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one
PubChem CID153346340
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one
SMILESC=C(C)COc1cc(C)cc(C)c1C(C)(C)CC(C)=O
InChIInChI=1S/C18H26O2/c1-12(2)11-20-16-9-13(3)8-14(4)17(16)18(6,7)10-15(5)19/h8-9H,1,10-11H2,2-7H3
InChIKeyZLPOCWFXVUHSHL-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one
CID 163410720
[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 171526449
2-[[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenoxy]carbonylamino]propanoic acid
CID 142512620
[2-(1-carboxy-2-methylpropan-2-yl)-3,5-dimethylphenoxy]carbonylmercury
CID 153400800
3-(2,4-dimethyl-6-phosphorosooxyphenyl)-3-methylbutanoic acid
CID 23575529
sodium 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanethioate
CID 140866927
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
CID 122674449
[3,5-dimethyl-2-[2-methyl-4-(methylamino)pent-4-en-2-yl]phenyl] dihydrogen phosphate
CID 89417723
3-[2-(3-aminopropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanoic acid
CID 10501488
4-(3,5-dimethylphenyl)-4-methylpentan-2-one
CID 64715296
[2-(2,5-dimethyl-4-oxohexan-2-yl)-3,5-dimethylphenyl] dihydrogen phosphate
CID 140959277

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one?
The IUPAC name of 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one (CID 153346340) is 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one.
What is the SMILES notation for 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one?
The canonical SMILES for 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one is C=C(C)COc1cc(C)cc(C)c1C(C)(C)CC(C)=O.
What is the InChIKey of 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one?
The InChIKey is ZLPOCWFXVUHSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12(2)11-20-16-9-13(3)8-14(4)17(16)18(6,7)10-15(5)19/h8-9H,1,10-11H2,2-7H3.
What are the key properties of 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one?
4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one is sourced from PubChem (CID 153346340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).