2-methyl-1-phenyloct-1-en-4-one

C15H20O — CID 71411118

IUPAC2-methyl-1-phenyloct-1-en-4-one
SMILESCCCCC(=O)CC(C)=Cc1ccccc1
InChIInChI=1S/C15H20O/c1-3-4-10-15(16)12-13(2)11-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyHQYKXBBQHJBBNL-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.24
Rot. Bonds6

About 2-methyl-1-phenyloct-1-en-4-one

2-methyl-1-phenyloct-1-en-4-one (PubChem CID 71411118) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-1-phenyloct-1-en-4-one.

Molecular Properties

Compound Name2-methyl-1-phenyloct-1-en-4-one
PubChem CID71411118
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-methyl-1-phenyloct-1-en-4-one
SMILESCCCCC(=O)CC(C)=Cc1ccccc1
InChIInChI=1S/C15H20O/c1-3-4-10-15(16)12-13(2)11-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyHQYKXBBQHJBBNL-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-6-phenylhex-5-en-3-one
CID 71411119
(2E)-2-benzylidenehexanoic acid
CID 5354388
3-methyl-4-phenylbut-3-enamide
CID 23660
(2Z)-2-benzylidenehexanoate
CID 21157937
3-benzylideneoctanoate
CID 20981574
1-phenylnonane-3,5-dione
CID 14763643
(2E)-2-benzylideneheptanoic acid
CID 14318164
heptane;N-methylmethanamine;(E)-2-methyl-3-phenylprop-2-enal
CID 142518237
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
benzaldehyde;ethane;hexan-2-one
CID 145294452
5-methyl-2-methylidene-6-phenylhex-5-enoic acid
CID 67161387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyloct-1-en-4-one?
The IUPAC name of 2-methyl-1-phenyloct-1-en-4-one (CID 71411118) is 2-methyl-1-phenyloct-1-en-4-one.
What is the SMILES notation for 2-methyl-1-phenyloct-1-en-4-one?
The canonical SMILES for 2-methyl-1-phenyloct-1-en-4-one is CCCCC(=O)CC(C)=Cc1ccccc1.
What is the InChIKey of 2-methyl-1-phenyloct-1-en-4-one?
The InChIKey is HQYKXBBQHJBBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-4-10-15(16)12-13(2)11-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3.
What are the key properties of 2-methyl-1-phenyloct-1-en-4-one?
2-methyl-1-phenyloct-1-en-4-one has a molecular weight of 216.32 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyloct-1-en-4-one is sourced from PubChem (CID 71411118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).