(4-Methylphenyl)(4-pyridinyl)methanol
Basic information
- CAS
33974-28-6- Standard SMILES
Cc1ccc(C(O)c2ccncc2)cc1- InChIKey
HCGGWUDKDIBCHO-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- (4-Methylphenyl)(4-pyridinyl)methanol
- IUPAC
- (4-methylphenyl)-pyridin-4-ylmethanol
- English name
- α-(4-methylphenyl)-4-pyridinemethanol
- Molecular formula
- C13H13NO
- Molecular weight
- 199.24842
Names & synonyms
33974-28-6(4-methylphenyl)(4-pyridinyl)methanolalpha-(4-Methylphenyl)-4-pyridinemethanol(4-methylphenyl)-pyridin-4-ylmethanol|A-(4-methylphenyl)-4-pyridinemethanolSMR000160413MLS000537100SCHEMBL8737044CHEMBL1867285HMS2453I224-Pyridinemethanol, alpha-(4-methylphenyl)-α-(4-methylphenyl)-4-pyridinemethanol
Show more names
α-(4-Methylphenyl)-4-pyridinemethanol4-Pyridinemethanol, α-(4-methylphenyl)-
Database identifiers
- CAS
33974-28-6- PubChem CID
- 3383504
- ChEMBL
CHEMBL1867285
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 113 °C · 113 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 369 · 369.0±32.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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