2,2-dimethyl-1-(2-methylphenyl)propan-1-one

C12H16O — CID 5148232

IUPAC2,2-dimethyl-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)C(C)(C)C
InChIInChI=1S/C12H16O/c1-9-7-5-6-8-10(9)11(13)12(2,3)4/h5-8H,1-4H3
InChIKeyAWNJETOROKEWCH-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.22
Rot. Bonds1

About 2,2-dimethyl-1-(2-methylphenyl)propan-1-one

2,2-dimethyl-1-(2-methylphenyl)propan-1-one (PubChem CID 5148232) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylphenyl)propan-1-one
PubChem CID5148232
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,2-dimethyl-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)C(C)(C)C
InChIInChI=1S/C12H16O/c1-9-7-5-6-8-10(9)11(13)12(2,3)4/h5-8H,1-4H3
InChIKeyAWNJETOROKEWCH-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-(2-methylphenyl)propan-1-one 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 2,2-dimethyl-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methylphenyl)propan-1-one (CID 5148232) is 2,2-dimethyl-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylphenyl)propan-1-one?
The InChIKey is AWNJETOROKEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-7-5-6-8-10(9)11(13)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methylphenyl)propan-1-one?
2,2-dimethyl-1-(2-methylphenyl)propan-1-one has a molecular weight of 176.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 5148232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).