3-Methoxy-5-Methylphenol
PubChem CID: 76674
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| Compound Synonyms | 3-Methoxy-5-methylphenol, 3209-13-0, 3-Hydroxy-5-methoxytoluene, Phenol, 3-methoxy-5-methyl-, Orcinol monomethyl ether, 5-Methoxy-m-cresol, O-Methylorcinol, Orsin Monomethyl Ether, UNII-UYA9W3L847, MFCD00059261, UYA9W3L847, DTXSID1047443, 3-methyl-5-methoxyphenol, EINECS 221-716-1, 3-methoxy-5-hydroxytoluene, M-CRESOL, 5-METHOXY-, DTXCID9027443, NOTCZLKDULMKBR-UHFFFAOYSA-, 3-methoxy-5-methyl-phenol, 5-methyl-3-methoxy-phenol, SCHEMBL296714, YSZC2042, CHEMBL3187650, 3-Methoxy-5-methylphenol, 97%, CHEBI:167432, 5-methylresorcinol monomethyl ether, Tox21_302551, AKOS006220958, NCGC00256686-01, SY050536, TS-01782, CAS-3209-13-0, DB-048154, CS-0181797, M0895, NS00012822, Q27291330, 221-716-1 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275 |
| Iupac Name | 3-methoxy-5-methylphenol |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C8H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOTCZLKDULMKBR-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.317 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.425 |
| Compound Name | 3-Methoxy-5-Methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2716292 |
| Inchi | InChI=1S/C8H10O2/c1-6-3-7(9)5-8(4-6)10-2/h3-5,9H,1-2H3 |
| Smiles | CC1=CC(=CC(=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calypogeia Integristipula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cirsium Brevistylum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Desmodium Oxyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Putterlickia Verrucosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Vernonia Condensata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all