3-Hydroxy-5-methoxybiphenyl
PubChem CID: 12000323
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| Compound Synonyms | 3-hydroxy-5-methoxybiphenyl, 3-methoxy-5-phenylphenol, CHEBI:70633, 55814-99-8, 5-methoxy-3-biphenylol, CHEMBL470237, SCHEMBL2545199, MFGGGJCBWVBPEO-UHFFFAOYSA-, DTXSID70475564, 5-methoxy[1,1'-biphenyl]-3-ol, [1,1'-Biphenyl]-3-ol, 5-methoxy-, Q27138966, InChI=1/C13H12O2/c1-15-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9,14H,1H3 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35610, n.a. |
| Iupac Name | 3-methoxy-5-phenylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C13H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MFGGGJCBWVBPEO-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.455 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.506 |
| Compound Name | 3-Hydroxy-5-methoxybiphenyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9165694 |
| Inchi | InChI=1S/C13H12O2/c1-15-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9,14H,1H3 |
| Smiles | COC1=CC(=CC(=C1)O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all