2-Methoxy-5-methylphenol
PubChem CID: 14519
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| Compound Synonyms | 2-Methoxy-5-methylphenol, 1195-09-1, Isocreosol, 5-Methylguaiacol, Phenol, 2-methoxy-5-methyl-, 6-Methoxy-m-cresol, 2-Hydroxy-4-methylanisole, m-CRESOL, 6-METHOXY-, Isocreosole, 3-hydroxy-4-methoxytoluene, 2-methoxy-5-methyl-phenol, EINECS 214-791-7, UNII-AV5V76OU33, BRN 1817644, AV5V76OU33, 5-methyl-2-methoxyphenol, MFCD00040901, IFNDEOYXGHGERA-UHFFFAOYSA-, DTXSID70152469, 4-06-00-05879 (Beilstein Handbook Reference), 3-HYDROXY-4-METHOXY-1-METHYLBENZENE, m-Creosol, 4-methyl-2-hydroxy anisole, ghl.PD_Mitscher_leg0.527, Phenol,2-methoxy-5-methyl-, SCHEMBL218637, DTXCID6074960, CHEBI:194904, CL8467, 2-methoxy-5-methylphenol, AldrichCPR, AKOS009158076, CS-W016494, BP-11158, SY037881, TS-01781, DB-021278, H0624, NS00021557, EN300-177729, Q10303982 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6O)))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-5-methylphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFNDEOYXGHGERA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -1.574 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.074 |
| Synonyms | 2-methoxy-5-methylphenol |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | 2-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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.3787292 |
| Inchi | InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3 |
| Smiles | CC1=CC(=C(C=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563 - 4. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678