4-[(4-Hydroxyphenyl)methyl]-2-methylphenol
PubChem CID: 20504279
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| Compound Synonyms | SCHEMBL11177663 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(4-hydroxyphenyl)methyl]-2-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C14H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXXODURIRUMBCC-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.85 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.055 |
| Compound Name | 4-[(4-Hydroxyphenyl)methyl]-2-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7964367999999995 |
| Inchi | InChI=1S/C14H14O2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h2-8,15-16H,9H2,1H3 |
| Smiles | CC1=C(C=CC(=C1)CC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients