2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]phenol
PubChem CID: 11156616
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| Compound Synonyms | SCHEMBL13816855, 97372-52-6, EN300-23077863, 2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]phenol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKWGCEDRLNNZOZ-LBPRGKRZSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.204 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.134 |
| Compound Name | 2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.647008 |
| Inchi | InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m0/s1 |
| Smiles | CC1=C(C=C(C=C1)[C@@H](C)CCC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients