2-(4-Hydroxyphenyl)propionic acid, (+/-)-
PubChem CID: 102526
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| Compound Synonyms | 938-96-5, 2-(4-hydroxyphenyl)propanoic acid, 2-(4-Hydroxyphenyl)propionic acid, 4-Hydroxyhydratropic Acid, 4-Hydroxyhydratropate, methyl 4-hydroxyphenylacetic acid, 55FH3476SI, EINECS 213-352-7, CHEBI:1868, 2-(4-Hydroxyphenyl)propionic acid, (+/-)-, 4-hydroxyphenyl-2-propionic acid, P-HYDROXY HYDRATROPIC ACID, 2-(P-HYDROXYPHENYL)-PROPIONIC ACID, 4-HYDROXY-.ALPHA.-METHYLBENZENEACETIC ACID, BENZENEACETIC ACID, 4-HYDROXY-.ALPHA.-METHYL-, MFCD21606316, MFCD30449523, 2-(4-Hydroxyphenyl)propionicAcid, MFCD00128847, 2-(4'-Hydroxyphenyl)-propionic acid, Benzeneacetic acid,4-hydroxy-a-methyl-, 2-HPPA cpd, C03080, SCHEMBL288003, UNII-55FH3476SI, 4-hydroxyphenyl propanoic acid, CHEMBL188281, ZHMMPVANGNPCBW-UHFFFAOYSA-, DTXSID90917911, Methyl-4-hydroxyphenylacetic acid, BDBM231637, 2-(4-Hydroxy-phenyl)-propionic acid, 2-(4-hydroxyphenyl)- propionic acid, AKOS015856371, 4-hydroxy-alpha-methylphenylacetic acid, AS-48047, DA-28162, SY232323, SY232364, CS-0059228, H1037, NS00041919, 4-HYDROXY-ALPHA-METHYLBENZENEACETIC ACID, F17592, BENZENEACETIC ACID, 4-HYDROXY-ALPHA-METHYL-, Q27105516, (2RS)-2-(4-Hydroxyphenyl)propionic acid, >=95.0% (qNMR), 213-352-7, InChI=1/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) |
|---|---|
| Ghose Rule | True |
| 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 |
| Deep Smiles | OC=O)Ccccccc6))O)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenylpropanoic acids |
| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, P0DMM9 |
| Iupac Name | 2-(4-hydroxyphenyl)propanoic acid |
| Class | Phenylpropanoic acids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.6 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | ZHMMPVANGNPCBW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4-Hydroxyphenyl-2-propionate, 2-HPPA CPD, 2-(4-Hydroxyphenyl)propionic acid, 4-Hydroxy-α-methylbenzeneacetic acid, 2-(4-Hydroxyphenyl)propanoic acid, 2-(p-Hydroxyphenyl)-propionic acid, Methyl 4-hydroxyphenylacetic acid, 4-Hydroxyhydratropic acid, 2-(4-hydroxyphenyl)propionic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, cO |
| Compound Name | 2-(4-Hydroxyphenyl)propionic acid, (+/-)- |
| Kingdom | Organic compounds |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) |
| Smiles | CC(C1=CC=C(C=C1)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanoic acids |
- 1. Outgoing r'ship
FOUND_INto/from Cynodon Dactylon (Plant) Rel Props:Reference:ISBN:9788185042145