PUBCHEM ID | 62348 |
Molecular Weight (mg/mol) | 154.163 |
Molecular Formula | C8H10O3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
IUPAC Name | 4-(hydroxymethyl)-2-methoxyphenol |
Canonical SMILES | COc1cc(CO)ccc1O |
PUBCHEM IUPAC INCHIKEY | ZENOXNGFMSCLLL-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -3.282 |
XLOGP3 AA | |
CACTVS TPSA | 49.7 |
BBB Level | 3 |
Absorption Level | 0 |
EXT PPB#Prediction | 0 |
AlogP98 | 0.967 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Non-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 6.37638 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 | 498-00-0 | OLFR73 | Mus musculus | vanillyl alcohol binds to and results in increased activity of OLFR73 protein | affects^binding|increases^activity | 21142015 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 498-00-0 | Vanillyl Alcohol |