Hydrobenzoin
PubChem CID: 95447
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| Compound Synonyms | Hydrobenzoin, 1,2-Diphenylethane-1,2-diol, (+/-)-Hydrobenzoin, 492-70-6, 655-48-1, 1,2-Diphenyl-1,2-ethanediol, UNII-Q61G3433LB, CHEBI:50013, EINECS 207-758-3, NSC 10752, NSC 14970, diphenylethyleneglycol, 1, 1,2-diphenyl-, 1,2-Ethanediol, 1,2-diphenyl-, (R*,R*)-(.+/-.)-, .alpha.,.alpha.'-Bi[benzyl alcohol], (+/-)-1,2-Diphenyl-1,2-ethanediol, 1,2-Ethanediol, 1,2-diphenyl-, 1,2-diphenyl-ethane-1,2-diol, hydrobenzoine, 1,2-Diphenyl-1,2-ethanediol #, Mesohydrobenzoin, 1,2-diphenylethane-l,2-diol, MFCD00064254, MFCD00064255, meso-1,2-ethanediol, (+/-)-Dihydrobenzoin, HYDROBENZOIN [MI], 1,2Diphenyl1,2ethanediol, 1,2Diphenylethane1,2diol, CBDivE_013153, MLS001180169, SCHEMBL430516, 1,2-diphenyl-1,2-ethandiol, 1, 1,2-diphenyl-, meso-, CHEMBL365982, BDBM22729, DTXSID90870557, HMS1577O02, HMS2785N17, Q61G3433LB, NSC10752, NSC14970, NSC-10752, NSC-14970, NSC133570, AKOS005258128, SB45504, 1, 1,2-diphenyl-, (R*,S*)-, AS-19915, SMR000475647, SY017487, SY062192, SY106437, ( inverted exclamation markA)-Hydrobenzoin, DB-053131, DB-057833, DB-071515, CS-0187819, H0815, NS00043486, S10003, AB-131/40897135, Q27121684 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | OCCcccccc6))))))O))cccccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-diphenylethane-1,2-diol |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H14O2 |
| Scaffold Graph Node Bond Level | c1ccc(CCc2ccccc2)cc1 |
| Inchi Key | IHPDTPWNFBQHEB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,2-diphenyl-1,2-ethanediol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Hydrobenzoin |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H |
| Smiles | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279