| CAS Number | 893737-61-6 |
| Catalog Number | AG00IFP0(AGN-PC-0WRA83) |
| Chemical Name | 4-Benzyloxy-3'-methylbiphenyl |
| IUPAC Name | 1-methyl-3-(4-phenylmethoxyphenyl)benzene |
| InChI | InChI=1S/C20H18O/c1-16-6-5-9-19(14-16)18-10-12-20(13-11-18)21-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3 |
| InChI Key | XISAIGYPMQWSRU-UHFFFAOYSA-N |
| MDL Number | MFCD06802357 |
| Molecular Formula | C20H18O |
| Molecular Weight | 274.3563 |
| SMILES | C1(C=CC=C(C)C=1)C1C=CC(=CC=1)OCC1C=CC=CC=1 |
| Synonyms | 4-Benzyloxy-3'-methylbiphenyl,
893737-61-6,
Benzyl 3'-methyl[1,1'-biphenyl]-4-yl ether,
4'-(Benzyloxy)-3-methyl-1,1'-biphenyl,
KM3929,
MFCD06802357,
ZINC16947085,
AKOS004115210,
BB 0223435,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.363g/mol |
| Monoisotopic Mass | 274.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
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Certificate of Analysis
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