2-phenylpent-4-en-2-ol

• ChemBase ID: 295591
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: CC(CC=C)(c1ccccc1)O
• Canonical SMILES: C=CCC(c1ccccc1)(O)C
• InChI: InChI=1S/C11H14O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3-8,12H,1,9H2,2H3
• InChIKey: BELRNEPYFJNSPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpent-4-en-2-ol
• IUPAC Traditional name: 2-phenylpent-4-en-2-ol
• Synonyms: Allyl methyl phenyl carbinol; 2-Phenyl-4-penten-2-ol; 2-苯基-4-五亚乙基六胺-2-醇

Database IDs

• CAS Number: 4743-74-2
• MDL Number: MFCD00060886
• PubChem SID: 180681122
• PubChem CID: 143761

CALCULATED PROPERTIES

• Acid pKa: 14.255522
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.566151
• LogD (pH = 7.4): 2.5661507
• Log P: 2.566151
• Molar Refractivity: 51.1 cm^3
• Polarizability: 19.945951 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.99

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%