Styrene glycol
PubChem CID: 7149
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| Compound Synonyms | 1-Phenyl-1,2-ethanediol, 93-56-1, 1-phenylethane-1,2-diol, STYRENE GLYCOL, Phenylethylene glycol, 1,2-Ethanediol, 1-phenyl-, Phenylethanediol, Phenyl glycol, Phenyl-1,2-ethanediol, Styrolyl alcohol, 1-Phenylethylene glycol, Fenylglycol, 1,2-Dihydroxy-1-phenylethane, Phenylethane-1,2-diol, 1,2-Dihydroxyethylbenzene, Fenylglycol [Czech], 1,2-Ethanediol, phenyl-, 1-Fenyl-1,2-ethandiol, rac Styrene Glycol, Phenyl glycol ether, alpha,beta-Dihydroxyethylbenzene, NSC 406601, 1-Fenyl-1,2-ethandiol [Czech], EINECS 202-258-1, MFCD00003546, BRN 1306723, 2ZAC511UK8, DTXSID8042422, AI3-03789, (+/-)-Styrene glycol, (+/-)-1-Phenyl-1,2-ethanediol, .alpha.,.beta.-Dihydroxyethylbenzene, NSC-406601, STYRENE GLYCOL [MI], DTXCID6022422, 4-06-00-05939 (Beilstein Handbook Reference), STYRENE GLYCOL, (+/-)-, 1,2-DIHYDROXY-2-PHENYLETHANE, UNII-2ZAC511UK8, phenylethyleneglycol, Phenyl1,2ethanediol, Phenylethane1,2diol, 1Fenyl1,2ethandiol, 1-phenyl-1, 1Phenyl1,2ethanediol, 1Phenylethylene glycol, 1,2Ethanediol, phenyl, 1,2Dihydroxyethylbenzene, 1,2Ethanediol, 1phenyl, 1,2Dihydroxy1phenylethane, 2-phenyl-2-hydroxyethanol, 1-phenyl-ethane-1,2-diol, NCIOpen2_003573, SCHEMBL24750, alpha,betaDihydroxyethylbenzene, CHEMBL3188703, alpha-(hydroxymethyl)benzylalcohol, CHEBI:183269, 1-Phenyl-1,2-ethanediol, 97%, alpha-(hydroxymethyl)benzyl alcohol, Tox21_302040, NSC406601, AKOS004903345, CS-W016504, FD10472, FR27572, HY-W015788, SB44462, SB44621, CAS-93-56-1, NCGC00255814-01, AS-11660, SY017542, SY017543, SY049723, DB-011656, DB-057411, NS00021395, P0686, EN300-111545, Q26841299, ( inverted exclamation markA)-1-Phenyl-1 pound not2-ethanediol, (R)-(-)-alpha,beta-Dihydroxyethylbenzene, (R)-(-)-Stryrene glycol, (S)-(+)-alpha,beta-Dihydroxyethylbenzene, (S)-(+)-Styrene glycol, 1-Phenyl-1,2-ethanediol, (1,2-Dihydroxyethyl)benzene, (RS)-1-phenyl-1,2-ethanediol |
|---|---|
| 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 | OCCcccccc6))))))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.3 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenylethane-1,2-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PWMWNFMRSKOCEY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-phenylethane-1,2-diol, styrene glycol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Styrene glycol |
| Exact Mass | 138.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2 |
| Smiles | C1=CC=C(C=C1)C(CO)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 Argania Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x1000500626