1-Phenylethanol, (R)-
PubChem CID: 637516
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| Compound Synonyms | (R)-1-phenylethanol, (R)-(+)-1-Phenylethanol, 1517-69-7, (1R)-1-PHENYLETHANOL, (R)-alpha-Methylbenzyl alcohol, 1-Phenylethanol, (R)-, (R)-(+)-1-Phenylethyl Alcohol, (R)-alpha-methylbenzenemethanol, Benzenemethanol, alpha-methyl-, (R)-, (r)-1-phenethyl alcohol, (+)-Methyl phenyl carbinol, (R)-phenylethanol, R-1-phenylethanol, MFCD00064263, CHEBI:45616, (+)-1-phenylethanol, (R)-1-phenyl-ethanol, 36N222W94B, Benzenemethanol, .alpha.-methyl-, (R)-, (R)-(+)-sec-Phenethyl Alcohol, DTXSID00164853, 1-PHENYLETHANOL, (+)-, (+)-SEC-PHENETHYL ALCOHOL, (+)-.ALPHA.-PHENYLETHANOL, (+)-1-PHENYLETHYL ALCOHOL, (+)-.ALPHA.-PHENETHYL ALCOHOL, (+)-.ALPHA.-METHYLBENZYL ALCOHOL, (1R)-1-Phenylethan-1-Ol, 1-phenethan-1-ol, 1-Phenylethanol #, methylphenyl methanol, 1-Phenyl ethyl alcohol, SS2, DL-sec-Phenethyl alcohol, alpha-methyl-benzene methanol, (R)-1-phenylethan-1-ol, (R)-(+)-alpha-Methylbenzyl alcohol, (R)phenylethanol, UNII-36N222W94B, (R)1-phenylethanol, 1-(R)-phenylethanol, 1-Phenyl ethan-1-ol, (R)-1-phenyl ethanol, Alpha-methylbenzene alcohol, (r)-1-phenyl-1-ethanol, (R)-1-(phenyl)-ethanol, SCHEMBL2165, Benzenemethanol, .alpha.-methyl-, (.alpha.R)-, (R)-(-)-1-phenylethanol, (R)-1-phenyl ethyl alcohol, r-(+)-sec-phenethyl alcohol, (R)-1-Phenylethanol, 97%, CHEMBL151062, (+)-ALPHA-PHENYLETHANOL, DTXCID7087344, (R)-(+)-sec-Phenethan-1-ol, (R)-(+)-a-Methylbenzyl alcohol, Benzenemethanol, .alpha.,-methyl-, CS-M2101, (+)-ALPHA-PHENETHYL ALCOHOL, benzenemethanol, alpha-methyl,(R)-,, AKOS010400603, (+)-ALPHA-METHYLBENZYL ALCOHOL, DB04784, FP32250, DS-17629, NS00068411, P0795, EN300-87751, (R)-13, F13058, A809217, Q27095522, Z360055166, (R)-(+)-1-Phenylethanol, >=98.5% (sum of enantiomers, GC), (R)-(+)-1-Phenylethanol, for chiral derivatization, >=99.0%, (R)-(+)-1-Phenylethanol, ChiPros(R), produced by BASF, 98%, 604-814-2 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.6 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P17988 |
| Iupac Name | (1R)-1-phenylethanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C8H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WAPNOHKVXSQRPX-SSDOTTSWSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.863 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.983 |
| Compound Name | 1-Phenylethanol, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9193687333333331 |
| Inchi | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1 |
| Smiles | C[C@H](C1=CC=CC=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all