6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane

C16H24O2 — CID 159532583

IUPAC6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane
SMILESC.C=Cc1ccc(CCC(CC(C)=O)OC)cc1
InChIInChI=1S/C15H20O2.CH4/c1-4-13-5-7-14(8-6-13)9-10-15(17-3)11-12(2)16;/h4-8,15H,1,9-11H2,2-3H3;1H4
InChIKeyMDEMKEHHEFBVDP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.89
Rot. Bonds7

About 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane

6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane (PubChem CID 159532583) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane.

Molecular Properties

Compound Name6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane
PubChem CID159532583
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane
SMILESC.C=Cc1ccc(CCC(CC(C)=O)OC)cc1
InChIInChI=1S/C15H20O2.CH4/c1-4-13-5-7-14(8-6-13)9-10-15(17-3)11-12(2)16;/h4-8,15H,1,9-11H2,2-3H3;1H4
InChIKeyMDEMKEHHEFBVDP-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane?
The IUPAC name of 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane (CID 159532583) is 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane.
What is the SMILES notation for 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane?
The canonical SMILES for 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane is C.C=Cc1ccc(CCC(CC(C)=O)OC)cc1.
What is the InChIKey of 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane?
The InChIKey is MDEMKEHHEFBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.CH4/c1-4-13-5-7-14(8-6-13)9-10-15(17-3)11-12(2)16;/h4-8,15H,1,9-11H2,2-3H3;1H4.
What are the key properties of 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane?
6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane has a molecular weight of 248.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane is sourced from PubChem (CID 159532583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).