2,3-Bis(4-hydroxyphenyl)-propionitrile
PubChem CID: 102614
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| Compound Synonyms | 1428-67-7, diarylpropionitrile, 2,3-bis(4-hydroxyphenyl)propionitrile, 2,3-bis(4-hydroxyphenyl)propanenitrile, DPN, 2,3-bis(4-hydroxyphenyl)-propionitrile, DPN compound, 2,3-Bis(p-hydroxyphenyl)propionitrile, 52XWB8Q4V8, CHEBI:63949, 2,3-Bis(p-hydroxyphenyl)-propionitrile, Propionitrile, 2,3-bis(p-hydroxyphenyl)-, CHEMBL334773, DTXSID0040387, C15H13NO2, 2,3-Bis-(4-hydroxy-phenyl)-propionitrile, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)BENZENEPROPANENITRILE, BENZENEPROPANENITRILE, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)-, SR-01000597601, 2,3-BHPPN, Benzenepropanenitrile,4-hydroxy-a-(4-hydroxyphenyl)-, MFCD01695412, DPN - Bio-X trade mark, UNII-52XWB8Q4V8, GTPL2825, SCHEMBL1940848, DTXCID8020387, HMS3267P04, HMS3414M03, HMS3650I14, HMS3678M03, ZVA04778, BDBM50106635, HB2489, AKOS022488638, CS-3514, FB66440, AS-76308, BD300039, HY-12452, B4385, NS00134106, (+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile, 2 pound not3-Bis(4-hydroxyphenyl)propionitrile, D89075, SR-01000597601-1, SR-01000597601-2, BRD-A27143604-001-01-2, BRD-A27143604-001-02-0, Q25100751, 2,3-Bis(4-hydroxyphenyl)propionitrile, >=98% (HPLC), 4-HYDROXY-ALPHA-(4-HYDROXYPHENYL)BENZENEPROPANENITRILE, BENZENEPROPANENITRILE, 4-HYDROXY-ALPHA-(4-HYDROXYPHENYL)- |
|---|---|
| Topological Polar Surface Area | 64.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-bis(4-hydroxyphenyl)propanenitrile |
| Prediction Hob | 1.0 |
| Target Id | NPT108, NPT248 |
| Xlogp | 2.9 |
| Molecular Formula | C15H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHZHWDWADLAOIQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -0.628 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.2 |
| Compound Name | 2,3-Bis(4-hydroxyphenyl)-propionitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 239.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 239.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.420632133333333 |
| Inchi | InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2 |
| Smiles | C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients