3-Methoxyphenol
PubChem CID: 9007
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| Compound Synonyms | 3-METHOXYPHENOL, 150-19-6, m-Methoxyphenol, 3-Hydroxyanisole, Phenol, 3-methoxy-, m-Hydroxyanisole, m-Guaiacol, Resorcinol monomethyl ether, 1-Hydroxy-3-methoxybenzene, Resorcinol methyl ether, Phenol, m-methoxy-, 3-(methyloxy)phenol, m-Hydroxyanisol, 3-METHOXY-PHENOL, EINECS 205-754-6, MFCD00002267, NSC 21735, UNII-HXB7441U87, DTXSID0022012, CHEBI:52678, ORISTAR HOA, AI3-00796, NSC-21735, DTXCID302012, HXB7441U87, 3-methoxy phenol, 3-Hydroxyanisol, mHydroxyanisole, mMethoxyphenol, mGuaiacol, Guaiacol Imp. H (EP), 3-Methoxyphenol, Guaiacol Impurity H, 3Hydroxyanisole, m-methoxy-phenol, 3-methoxy-pheno, Phenol, mmethoxy, 3-methyloxyphenol, Phenol, 3methoxy, 1Hydroxy3methoxybenzene, 3-Methoxyphenol, 96%, 3-Methoxyphenol - 98%, 3-Methoxyphenol (Standard), SCHEMBL28256, CHEMBL57891, M-HYDROXYANISOLE [INCI], SCHEMBL12015261, BDBM36297, HY-Y1840R, CS-D1677, HY-Y1840, NSC21735, 3-Methoxyphenol, analytical standard, Tox21_303820, CK1184, STL141067, AKOS000120300, FM25316, NCGC00357098-01, AC-18515, AS-45839, CAS-150-19-6, DB-002515, M0122, NS00020150, EN300-20543, Q27123546, F0001-0533, Z104478798, 1-Hydroxy-3-methoxybenzene, 3-Hydroxyanisole, Resorcinol monomethyl ether, m-Hydroxyanisole |
|---|---|
| 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 | COcccccc6)O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02769 |
| Iupac Name | 3-methoxyphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASHGTJPOSUFTGB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -0.524 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.448 |
| Synonyms | 3-methoxyphenol |
| Esol Class | Very soluble |
| Functional Groups | cO, cOC |
| Compound Name | 3-Methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 124.14 |
| 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 | -1.8811951333333332 |
| Inchi | InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3 |
| Smiles | COC1=CC=CC(=C1)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Hemidesmus Indicus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699914 - 2. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vincetoxicum Pycnostelma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all