| CAS Number | 889950-90-7 |
| Catalog Number | AG00IFJF(AGN-PC-0WRA26) |
| Chemical Name | 3-(3-Benzyloxyphenyl)phenol |
| IUPAC Name | 3-(3-phenylmethoxyphenyl)phenol |
| InChI | InChI=1S/C19H16O2/c20-18-10-4-8-16(12-18)17-9-5-11-19(13-17)21-14-15-6-2-1-3-7-15/h1-13,20H,14H2 |
| InChI Key | ZAKREHXBTVSZAW-UHFFFAOYSA-N |
| MDL Number | MFCD06802270 |
| Molecular Formula | C19H16O2 |
| Molecular Weight | 276.3291 |
| SMILES | C1(C=CC=C(O)C=1)C1=CC=CC(=C1)OCC1=CC=CC=C1 |
| Synonyms | 3-(3-Benzyloxyphenyl)phenol,
889950-90-7,
3'-(Benzyloxy)[1,1'-biphenyl]-3-ol,
3'-(Benzyloxy)-[1,1'-biphenyl]-3-ol,
CTK8A0057,
DTXSID00602447,
3'-BENZYLOXY-BIPHENYL-3-OL,
MFCD06802270,
ZINC16946896,
AKOS004116533,
BB 0223321,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.335g/mol |
| Monoisotopic Mass | 276.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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