p-Coumaryl alcohol, (Z)-
PubChem CID: 12641150
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| Compound Synonyms | p-Coumaryl alcohol, (Z)-, U3N3M2N907, UNII-U3N3M2N907, Phenol, 4-((1Z)-3-hydroxy-1-propenyl)-, Phenol, 4-(3-hydroxy-1-propenyl)-, (Z)-, Phenol, 4-((1Z)-3-hydroxy-1-propen-1-yl)-, 124076-60-4, (Z)-p-Coumaryl alcohol, (z)-4-hydroxycinnamyl alcohol, (Z)-4-(3-hydroxyprop-1-en-1-yl)phenol, Q27896009 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(Z)-3-hydroxyprop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PTNLHDGQWUGONS-UPHRSURJSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -0.713 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.295 |
| Compound Name | p-Coumaryl alcohol, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8743337636363633 |
| Inchi | InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1- |
| Smiles | C1=CC(=CC=C1/C=C\CO)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients