6-(2,4-dimethylphenyl)-2-methylhexan-3-one

C15H22O — CID 83928031

IUPAC6-(2,4-dimethylphenyl)-2-methylhexan-3-one
SMILESCc1ccc(CCCC(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H22O/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11H,5-7H2,1-4H3
InChIKeyQJPDBTNQHYXEGR-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.85
Rot. Bonds5

About 6-(2,4-dimethylphenyl)-2-methylhexan-3-one

6-(2,4-dimethylphenyl)-2-methylhexan-3-one (PubChem CID 83928031) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-methylhexan-3-one.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-2-methylhexan-3-one
PubChem CID83928031
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6-(2,4-dimethylphenyl)-2-methylhexan-3-one
SMILESCc1ccc(CCCC(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H22O/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11H,5-7H2,1-4H3
InChIKeyQJPDBTNQHYXEGR-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,4-dimethylphenyl)-2-methylhexan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
CID 37012024
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
6-(2-hydroxyphenyl)-2-methylhexan-3-one
CID 83930520
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate
CID 78832911
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-methylhexan-3-one?
The IUPAC name of 6-(2,4-dimethylphenyl)-2-methylhexan-3-one (CID 83928031) is 6-(2,4-dimethylphenyl)-2-methylhexan-3-one.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-methylhexan-3-one?
The canonical SMILES for 6-(2,4-dimethylphenyl)-2-methylhexan-3-one is Cc1ccc(CCCC(=O)C(C)C)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-2-methylhexan-3-one?
The InChIKey is QJPDBTNQHYXEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenyl)-2-methylhexan-3-one?
6-(2,4-dimethylphenyl)-2-methylhexan-3-one has a molecular weight of 218.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-2-methylhexan-3-one is sourced from PubChem (CID 83928031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).