4-(Hydroxymethyl)benzoic acid
PubChem CID: 76360
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| Compound Synonyms | 4-(Hydroxymethyl)benzoic acid, 3006-96-0, 4-HYDROXYMETHYLBENZOIC ACID, Benzoic acid, 4-(hydroxymethyl)-, 4-hydroxymethyl-benzoic acid, MFCD00017598, UNII-9Z28L8STHD, p-hydroxymethyl benzoic acid, 9Z28L8STHD, 4-(hydroxymethyl)-benzoic acid, p-(hydroxymethyl)benzoic acid, P-CARBOXYBENZYL ALCOHOL, CHEMBL4636837, DTXSID40184111, .ALPHA.-HYDROXY-P-TOLUIC ACID, 96937-45-0, 4-Hydroxythylbenzoic acid, HMBA Linker, 4-(Hydroxymethyl)benzoicacid, Benzoic acid, 4-hydroxymethyl-, Enamine_005867, E5X, Fenpyroximate M-16, 4-Carboxybenzylalcohol, p-Hydroxymethylbenzoic Acid, SCHEMBL49984, 58590-49-1, HMBA, 4-Carboxybenzyl alcohol, 4-(Hydroxylmethyl)benzoic acid, DTXCID50106602, HMS1410K15, ALPHA-HYDROXY-P-TOLUIC ACID, ALBB-029043, BDBM50540780, CCG-49783, RB3326, 4-(Hydroxymethyl)benzoic acid, 99%, AKOS001053879, AC-3060, CS-W018100, FH47324, HY-W017384, IDI1_008102, SY003712, TS-02011, DB-013127, H0769, NS00067387, EN300-17313, M02899, SR-01000639214-1, Q27273399, Z56917404, 4AY, 628-233-9 |
|---|---|
| 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 | OCcccccc6))C=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 | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(hydroxymethyl)benzoic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WWYFPDXEIFBNKE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4-hydroxymethyl benzoate |
| Esol Class | Very soluble |
| Functional Groups | CO, cC(=O)O |
| Compound Name | 4-(Hydroxymethyl)benzoic 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/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11) |
| Smiles | C1=CC(=CC=C1CO)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 Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788171360536