(2-Ethylphenyl)methanol
PubChem CID: 5225083
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| Compound Synonyms | (2-ETHYLPHENYL)METHANOL, 2-Ethylbenzyl alcohol, 767-90-8, 2-ETHYLBENZYL ALCOHOL 98, MFCD03093889, 12M, Benzenemethanol, 2-ethyl-, 2-ethylbenzylalcohol, 2-ETHYLBENZYLALCOHOL98, ethylbenzylalcohol, (2-ethyl-phenyl)-methanol, 2-Ethylbenzyl alcohol, 98%, SCHEMBL282419, CHEMBL386156, DTXSID20411371, AAA76790, AKOS011703172, CS-W007268, DS-7398, SY120941, NS00057057, EN300-156171, Q27451635 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.7 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-ethylphenyl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBUIQTMDIOLKAL-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.66 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.074 |
| Compound Name | (2-Ethylphenyl)methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1493027999999996 |
| Inchi | InChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3 |
| Smiles | CCC1=CC=CC=C1CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Brachylobum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ligusticum Elatum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ligusticum Porteri (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ligusticum Scoticum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Ligusticum Tenuissimum (Plant) Rel Props:Reference: