15-Phenylpentadecanoic acid
PubChem CID: 2737151
Connections displayed (default: 10).
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| Compound Synonyms | 15-Phenylpentadecanoic acid, 40228-93-1, Benzenepentadecanoic acid, 15-PHENYLPENTADECANOICACID, UNII-18213V2KRN, phenylpentadecanoic acid, 18213V2KRN, 15-Phenyl-pentadecanecarboxylic acid, EINECS 254-849-9, 15-phenyl pentadecanoic acid, DTXSID50193219, 15-PHENYLPENTADECANCARBOXYLIC ACID (PPA), 15-phenylpentadecanoate, 15-phenyl-pentadecanoic acid, SCHEMBL2551105, DTXCID10115710, BKXIGVQZLPZYLM-UHFFFAOYSA-N, CHEBI:186236, LMFA01140030, LMFA01140068, MFCD00040777, DB-201507, CS-0363794, NS00057020, A10381, Q27251961, 254-849-9 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-phenylpentadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C21H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKXIGVQZLPZYLM-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.847 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.559 |
| Compound Name | 15-Phenylpentadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 318.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9821496782608685 |
| Inchi | InChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23) |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCCCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Spicatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalaria Procera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cytisus Ciliatus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Domohinea Perrieri (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Helipterum Propinquum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Mannia Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Mesua Beccariana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Parthenium Bipinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Pittosporum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients