4-(3-Hydroxyprop-1-enyl)phenol
PubChem CID: 94274
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| Compound Synonyms | 4-(3-hydroxyprop-1-enyl)phenol, Phenol, 4-(3-hydroxy-1-propenyl)-, MFCD02169461, (E)-4-(3-Hydroxyprop-1-en-1-yl)phenol, p-Cumaric alcohol, p-Hydroxycinnamic alcohol, p-hydroxy cinnamyl alcohol, TimTec1_004832, Oprea1_369026, 3-(4-hydroxyphenyl)-2-propenol, PTNLHDGQWUGONS-UHFFFAOYSA-N, AKOS017404971, FC145653, SY203874, SY225810, B0005-179738 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | OCC=Ccccccc6))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Cinnamyl alcohols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(3-hydroxyprop-1-enyl)phenol |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PTNLHDGQWUGONS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | p-hydroxy cinnamyl alcohol |
| Esol Class | Very soluble |
| Functional Groups | CO, cC=CC, cO |
| Compound Name | 4-(3-Hydroxyprop-1-enyl)phenol |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2 |
| Smiles | C1=CC(=CC=C1C=CCO)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Cyamopsis Tetragonoloba (Plant) Rel Props:Reference:ISBN:9788172362133