2-methyl-1-phenylprop-2-en-1-ol

• ChemBase ID: 112672
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: CC(=C)C(O)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)C(=C)C
• InChI: InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3
• InChIKey: ZGYBYYJGIKPBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-phenylprop-2-en-1-ol
• IUPAC Traditional name: 2-methyl-1-phenylprop-2-en-1-ol
• Synonyms: 2-METHYL-1-PHENYL-2-PROPEN-1-OL; Isopropenyl phenyl carbinol; 2-Methyl-1-phenyl-2-propen-1-ol; 2-甲基-1-苯基-2-丙烯-1-醇

Database IDs

• CAS Number: 4383-08-8
• MDL Number: MFCD00046630
• PubChem SID: 162097389
• PubChem CID: 138211

CALCULATED PROPERTIES

• Acid pKa: 13.908276
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2402742
• LogD (pH = 7.4): 2.2402742
• Log P: 2.2402742
• Molar Refractivity: 45.9888 cm^3
• Polarizability: 18.098925 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: tech. 85%

DETAILS

MP Biomedicals - 05225260

MP Biomedicals Rare Chemical collection