5-Methylsalicylic acid
PubChem CID: 6973
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Methylsalicylic acid, 89-56-5, 2-HYDROXY-5-METHYLBENZOIC ACID, p-Cresotic acid, 2,5-Cresotic acid, p-Cresotinic acid, 6-Hydroxy-m-toluic acid, p-Homosalicylic acid, Benzoic acid, 2-hydroxy-5-methyl-, 5-Methyl-2-hydroxybenzoic acid, 6-Hydroxy-3-methylbenzoic acid, 5-methyl salicylic acid, alpha-Cresotinic acid, .alpha.-Cresotinic acid, NSC 38518, 6GAI2MTV5V, EINECS 201-918-6, MFCD00002461, BRN 1909076, AI3-25422, NSC-38518, P-CRESOTIC ACID [MI], CHEMBL1161012, DTXSID20237472, 4-10-00-00610 (Beilstein Handbook Reference), 5-Methylsalicylicacid, UNII-6GAI2MTV5V, p-Kresotinsaure, 5mS acid, 54G, 5-metylsalicylic acid, SCHEMBL127149, 5-Methylsalicylic acid, 98%, 5-methyl-2-hydroxobenzoic acid, DTXCID20159963, HFC48179, NSC38518, BBL027383, BDBM50252630, STL374096, AKOS000121590, FM25565, PS-4592, HY-78573, SY013534, DB-000253, CS-0008584, NS00039335, EN300-22339, Q27264861, F8889-1114, Z147642456, 2-Hydroxy-5-methylbenzoic acid, 2,5-Cresotic acid (8CI), 5-Methyl-2-hydroxybenzoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | Ccccccc6)C=O)O)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-5-methylbenzoic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DLGBEGBHXSAQOC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | monogalactosylmonoacy-glycerol |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O, cO |
| Compound Name | 5-Methylsalicylic acid |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| 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 |
| Inchi | InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) |
| Smiles | CC1=CC(=C(C=C1)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Reference:ISBN:9788171360536