1-(2-methylphenyl)ethanone;propan-2-ol;titanium

C12H17O2Ti- — CID 59928874

IUPAC1-(2-methylphenyl)ethanone;propan-2-ol;titanium
SMILESCC(C)O.[CH2-]C(=O)c1ccccc1C.[Ti]
InChIInChI=1S/C9H9O.C3H8O.Ti/c1-7-5-3-4-6-9(7)8(2)10;1-3(2)4;/h3-6H,2H2,1H3;3-4H,1-2H3;/q-1;;
InChIKeyQSXBSFHBWNIYLU-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.40
Rot. Bonds1

About 1-(2-methylphenyl)ethanone;propan-2-ol;titanium

1-(2-methylphenyl)ethanone;propan-2-ol;titanium (PubChem CID 59928874) has the molecular formula C12H17O2Ti- and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(2-methylphenyl)ethanone;propan-2-ol;titanium.

Molecular Properties

Compound Name1-(2-methylphenyl)ethanone;propan-2-ol;titanium
PubChem CID59928874
Molecular FormulaC12H17O2Ti-
Molecular Weight241.13 g/mol
Exact Mass241.07
IUPAC Name1-(2-methylphenyl)ethanone;propan-2-ol;titanium
SMILESCC(C)O.[CH2-]C(=O)c1ccccc1C.[Ti]
InChIInChI=1S/C9H9O.C3H8O.Ti/c1-7-5-3-4-6-9(7)8(2)10;1-3(2)4;/h3-6H,2H2,1H3;3-4H,1-2H3;/q-1;;
InChIKeyQSXBSFHBWNIYLU-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(2-methylphenyl)ethanone;propan-2-ol;titanium 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

[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-(methylamino)-1-(2-methylphenyl)propan-1-one
CID 56603536
2-methyl-3-(2-methylphenyl)-3-oxopropanamide
CID 121217093
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
tris(2-methylbenzoyl)sulfanium
CID 142714960
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861334
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)ethanone;propan-2-ol;titanium?
The IUPAC name of 1-(2-methylphenyl)ethanone;propan-2-ol;titanium (CID 59928874) is 1-(2-methylphenyl)ethanone;propan-2-ol;titanium.
What is the SMILES notation for 1-(2-methylphenyl)ethanone;propan-2-ol;titanium?
The canonical SMILES for 1-(2-methylphenyl)ethanone;propan-2-ol;titanium is CC(C)O.[CH2-]C(=O)c1ccccc1C.[Ti].
What is the InChIKey of 1-(2-methylphenyl)ethanone;propan-2-ol;titanium?
The InChIKey is QSXBSFHBWNIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O.C3H8O.Ti/c1-7-5-3-4-6-9(7)8(2)10;1-3(2)4;/h3-6H,2H2,1H3;3-4H,1-2H3;/q-1;;.
What are the key properties of 1-(2-methylphenyl)ethanone;propan-2-ol;titanium?
1-(2-methylphenyl)ethanone;propan-2-ol;titanium has a molecular weight of 241.13 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)ethanone;propan-2-ol;titanium is sourced from PubChem (CID 59928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).