4-Propenylphenol
PubChem CID: 5314058
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| Compound Synonyms | 4-propenylphenol, 4-(1-propenyl)phenol, p-propenylphenol, p-Anol, 34CGE324DZ, Phenol, p-propenyl-, 4-Hydroxypropenylbenzene, 1-Methyl-4-isoallylbenzene, UNII-34CGE324DZ, Phenol, 4-(1-propenyl)-, FEMA No. 4062, trans-1-methyl-4-propenyl-benzene, 4-Methyl-trans-.beta.-methylstyrene, 2077-30-7, (E)-1-Methyl-4-(prop-1-en-1-yl)benzene, ghl.PD_Mitscher_leg0.39, 4-Methyl-trans-beta-methylstyrene, (Z)-4-Propenylphenol [FHFI], P-(1-PROPENYL)-TOLUENE, LSMSSYSRCUNIFX-ONEGZZNKSA-N, LSMSSYSRCUNIFX-UHFFFAOYSA-N, Phenol, 4-(1-propen-1-yl)-, DTXSID001345960, AKOS006286394, 1-Methyl-4-(1E)-1-propen-1-ylbenzene, Q63409518 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | C/C=C/cccccc6))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-[(E)-prop-1-enyl]benzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | LSMSSYSRCUNIFX-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-propenylphenol |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C |
| Compound Name | 4-Propenylphenol |
| Exact Mass | 132.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.2 |
| Gi Absorption | False |
| 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/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC=C(C=C1)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698190