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IUPACmethanol
| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | CH4O | — | pubchem |
| Molecular weight | 32.04 | g/mol | chembl |
| 32.042 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| Boiling point | 148.3 °F at 760 mmHg (NTP, 1992) | — | pubchem |
| Density | 0.792 at 68 °F (USCG, 1999) - Less dense than water; will float | — | pubchem |
| LogP (experimental) | log Kow = -0.77 | — | pubchem |
| Flash point | 52 °F (NTP, 1992) | — | pubchem |
| Melting point | -144 °F (NTP, 1992) | — | pubchem |
| Vapor pressure | 100 mmHg at 70.2 °F ; 237.87 mmHg at 100 °F (NTP, 1992) | — | pubchem |
| Water solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) | — | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| ALogP | -0.39 | — | chembl |
| XLogP | -0.5 | — | pubchem |
| MolLogP (Crippen) | -0.392 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 1 | — | chembl |
| 1 | — | pubchem | |
| H-bond donors | 1 | — | chembl |
| 1 | — | pubchem | |
| Lipinski violations | 0 | — | chembl |
| 0 | — | rdkit | |
| Passes rule of 3 | Y | — | chembl |
| Rotatable bonds | 0 | — | chembl |
| 0 | — | pubchem | |
| Polar surface area (TPSA) | 20.23 | Ų | chembl |
| 20.2 | Ų | pubchem | |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.385 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 1 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 2 | — | pubchem |
| Heavy atom count | 2 | — | pubchem |
| Molar refractivity | 8.14 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 13.53 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 0 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 0 | — | rdkit |
| Heteroatoms | 1 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Maximum clinical phase | -1.0 | — | chembl |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Alcohol | — | rdkit |