2-methyl-6-(4-methylphenyl)hept-1-en-4-one

C15H20O — CID 10822616

IUPAC2-methyl-6-(4-methylphenyl)hept-1-en-4-one
SMILESC=C(C)CC(=O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,13H,1,9-10H2,2-4H3
InChIKeyIDDJCFPGDONGSG-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-6-(4-methylphenyl)hept-1-en-4-one

2-methyl-6-(4-methylphenyl)hept-1-en-4-one (PubChem CID 10822616) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)hept-1-en-4-one.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)hept-1-en-4-one
PubChem CID10822616
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-methyl-6-(4-methylphenyl)hept-1-en-4-one
SMILESC=C(C)CC(=O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,13H,1,9-10H2,2-4H3
InChIKeyIDDJCFPGDONGSG-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
propan-2-yl (3R)-3-(4-methylphenyl)butanoate
CID 101090137
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
1-amino-5-methyl-1-phenylhex-5-en-3-one
CID 116553116
(1S)-3-methyl-1-(4-methylphenyl)but-3-en-1-amine
CID 130989094
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692
2,6-dimethylheptan-4-one;1,4-xylene
CID 70503285
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)hept-1-en-4-one?
The IUPAC name of 2-methyl-6-(4-methylphenyl)hept-1-en-4-one (CID 10822616) is 2-methyl-6-(4-methylphenyl)hept-1-en-4-one.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)hept-1-en-4-one?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)hept-1-en-4-one is C=C(C)CC(=O)CC(C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)hept-1-en-4-one?
The InChIKey is IDDJCFPGDONGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,13H,1,9-10H2,2-4H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)hept-1-en-4-one?
2-methyl-6-(4-methylphenyl)hept-1-en-4-one has a molecular weight of 216.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)hept-1-en-4-one is sourced from PubChem (CID 10822616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).