3-(3-Methoxy-4-methylphenyl)propan-1-ol
PubChem CID: 10997638
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| Compound Synonyms | 3-(3-methoxy-4-methylphenyl)propan-1-ol, 168132-18-1, SCHEMBL6173908, XHUFCXIYFOCUDO-UHFFFAOYSA-N, BS-42006, 3-(3-methoxy-4-methylphenyl)-1-propanol, CS-0061190, H1011, W16773, EN300-1858586 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3-methoxy-4-methylphenyl)propan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XHUFCXIYFOCUDO-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.799 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.407 |
| Compound Name | 3-(3-Methoxy-4-methylphenyl)propan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 180.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4147698615384616 |
| Inchi | InChI=1S/C11H16O2/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8,12H,3-4,7H2,1-2H3 |
| Smiles | CC1=C(C=C(C=C1)CCCO)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendranthus Spicatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients