3,4'-Dichloro-4-biphenylol
PubChem CID: 92348
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| Compound Synonyms | 3,4'-Dichloro-4-biphenylol, 53905-31-0, 3,4'-Dichlorobiphenyl-4-ol, 2-chloro-4-(4-chlorophenyl)phenol, MFCD11042231, [1,1'-Biphenyl]-4-ol, 3,4'-dichloro-, SCHEMBL3566128, DTXSID60968692, 4-Hydroxy-3,4'-dichlorobiphenyl, UHKLHHYQCUBQDI-UHFFFAOYSA-N, AKOS017554609, PD118180, 3,4'-Dichloro[1,1'-biphenyl]-4-ol #, DB-304086 |
|---|---|
| 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 | C1CCC(C2CCCCC2)CC1 |
| Deep Smiles | Clcccccc6))cccccc6)Cl))O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Biphenyls and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-chloro-4-(4-chlorophenyl)phenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H8Cl2O |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccc2)cc1 |
| Inchi Key | UHKLHHYQCUBQDI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | trichodesmin |
| Esol Class | Moderately soluble |
| Functional Groups | cCl, cO |
| Compound Name | 3,4'-Dichloro-4-biphenylol |
| Exact Mass | 237.995 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.995 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 239.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H8Cl2O/c13-10-4-1-8(2-5-10)9-3-6-12(15)11(14)7-9/h1-7,15H |
| Smiles | C1=CC(=CC=C1C2=CC(=C(C=C2)O)Cl)Cl |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Juncea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279