2-Hydroxyfluorene
PubChem CID: 75547
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| Compound Synonyms | 9H-Fluoren-2-ol, 2-Hydroxyfluorene, 2443-58-5, 2-Hydroxy fluorene, Fluoren-2-ol, 2-Fluorenol, UNII-C7588WEA3R, NSC 26316, NSC 31248, DTXSID2047569, EINECS 219-478-9, NSC-26316, NSC-31248, C7588WEA3R, DTXCID0027569, CHEBI:34289, Fluoren2ol, 9HFluoren2ol, 9H-Fluoren-2-ol, Fluoren-2-ol (6CI,7CI,8CI), 2-Hydroxy-9H-fluorene, 2-Hydroxyfluorene, NSC 26316, NSC 31248, 2-Hydroxyfluorene, 98%, BIDD:ER0076, SCHEMBL217399, CHEMBL3182722, BCP31749, NSC26316, NSC31248, Tox21_302595, ZB1723, AKOS015916717, CCG-320708, CS-W017105, NCGC00256670-01, AS-56641, CAS-2443-58-5, DB-046450, NS00027655, E78155, 9H-Fluoren-2-ol, Fluoren-2-ol, 2-Hydroxy fluorene, Q27115970 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | Occcc-ccCc5c9)))cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fluorenes |
| Description | 2-Hydroxyfluorene (2-OHF) is a metabolite of fluorene. Fluorene is one of the most abundant polycyclic aromatic hydrocarbons (PAHs) throughout the gas phase in the environment, especially in tobacco smoke condensate. 2-OHF is an effective biomarker for evaluating the exposure to PAHs from smoking. It has been found in urine [HMDB] |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275, Q16236 |
| Iupac Name | 9H-fluoren-2-ol |
| Class | Fluorenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.5 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)Cc1ccccc1-2 |
| Inchi Key | ZDOIAPGLORMKTR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 2-Fluorenol, 2-Hydroxy fluorene, 9H-Fluoren-2-ol, Fluoren-2-ol, 2-hydroxyfluorene |
| Substituent Name | Fluorene, Hydrocarbon derivative, Organooxygen compound, Aromatic homopolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 2-Hydroxyfluorene |
| Kingdom | Organic compounds |
| Exact Mass | 182.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2 |
| Smiles | C1C2=CC=CC=C2C3=C1C=C(C=C3)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fluorenes |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1329670