2-Methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID: 527142
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| Compound Synonyms | SUSDZWDMNJCYTN-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SUSDZWDMNJCYTN-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.652 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.237 |
| Compound Name | 2-Methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol |
| 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 | -1.9149701999999997 |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,10-11H,1,6H2,2-3H3 |
| Smiles | CC1=CC=C(CC1O)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients