2-Cyclohexen-1-ol
PubChem CID: 13198
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| Compound Synonyms | 2-CYCLOHEXEN-1-OL, 822-67-3, cyclohex-2-enol, cyclohex-2-en-1-ol, 2-Cyclohexenol, 2-Cyclohexene-1-ol, 3-Hydroxycyclohexene, 1-Cyclohexen-3-ol, Cyclohex-2-ene-1-ol, Cyclohexen-3-ol, MFCD00001570, EINECS 212-501-3, NSC 64656, CHEMBL4787259, 1,2,3,4-Tetrahydrophenol, Cyclohexen-3-ol (VAN), Cyclohexen3ol, Cyclohex2ene1ol, 1Cyclohexen3ol, 2Cyclohexen1ol, 3Hydroxycyclohexene, NSC64656, Cyclohexen3ol (VAN), 2-aCyclohexen-a1-aol, rac-2-cyclohexen-1-ol, racemic cyclohex-2-enol, (-)-2-cyclohexen-1-ol, 2-Cyclohexen-1-ol, 95%, 2-Cyclohexen-1-ol (8CI), DTXSID00870780, AAA82267, BCP18001, DAA41344, 2-Cyclohexen-1-ol (8CI)(9CI), BBL102891, BDBM50561638, NSC-64656, STL556700, AKOS015840757, CS-W011333, SB83780, SY030184, NS00006626, EN300-103787, 212-501-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCCCCC=C6 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.2 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q30W70 |
| Iupac Name | cyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQANGXXSEABURG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.423 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.871 |
| Synonyms | 2-cyclohexen-1-ol |
| Esol Class | Very soluble |
| Functional Groups | CC=CC, CO |
| Compound Name | 2-Cyclohexen-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 98.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.065899 |
| Inchi | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2 |
| Smiles | C1CC=CC(C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1505556 - 2. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699410 - 7. Outgoing r'ship
FOUND_INto/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596 - 8. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all