4-Phenyl-2-butanol, (2S)-
PubChem CID: 6994425
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| Compound Synonyms | 22148-86-3, (S)-(+)-4-Phenyl-2-butanol, (2S)-4-phenyl-2-butanol, (2S)-4-phenylbutan-2-ol, (S)-4-Phenyl-2-butanol, (S)-(+)-4-Phenylbutan-2-ol, 4-Phenyl-2-butanol, (2S)-, UNII-EJP87N3Z5V, (+)-4-Phenyl-2-butanol, 4-Phenyl-2-butanol, (S)-, (S)-1-Methyl-3-phenylpropanol, EJP87N3Z5V, (S)-alpha-Methylbenzenepropanol, 2-Butanol, 4-phenyl-, (S)-(+)-, (alphaS)-alpha-Methylbenzenepropanol, Benzenepropanol, alpha-methyl-, (S)-, Benzenepropanol, alpha-methyl-, (alphaS)-, DTXSID80176676, (S)-.ALPHA.-METHYLBENZENEPROPANOL, BENZENEPROPANOL, .ALPHA.-METHYL-, (S)-, (.ALPHA.S)-.ALPHA.-METHYLBENZENEPROPANOL, BENZENEPROPANOL, .ALPHA.-METHYL-, (.ALPHA.S)-, (S)-4-phenylbutan-2-ol, SCHEMBL2942774, DTXCID9099167, Benzenepropanol,a-methyl-,(as)-, GDWRKZLROIFUML-VIFPVBQESA-N, AKOS006342336, FS-2155, CS-0179429, D97164, EN300-726379, Q27891411, (S)-(+)-4-Phenyl-2-butanol, 98%, optical purity99% (ee) (GLC) |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-4-phenylbutan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDWRKZLROIFUML-VIFPVBQESA-N |
| Fcsp3 | 0.4 |
| Logs | -1.844 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.24 |
| Compound Name | 4-Phenyl-2-butanol, (2S)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4764065636363637 |
| Inchi | InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1 |
| Smiles | C[C@@H](CCC1=CC=CC=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Goniothalamus Thwaitesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvinia Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients