| CAS Number | 107774-42-5 |
| Catalog Number | AG00HB19 |
| Chemical Name | 3-(benzyloxy)-4-methylphenol |
| IUPAC Name | 4-methyl-3-phenylmethoxyphenol |
| InChI | InChI=1S/C14H14O2/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3 |
| InChI Key | KDCMAYUNTSVHDE-UHFFFAOYSA-N |
| MDL Number | MFCD23110771 |
| Molecular Formula | C14H14O2 |
| Molecular Weight | 214.2598 |
| SMILES | Cc1ccc(cc1OCc2ccccc2)O |
| Synonyms | 3-(BENZYLOXY)-4-METHYLPHENOL,
107774-42-5,
SCHEMBL2912541,
ZINC140374992,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.264g/mol |
| Monoisotopic Mass | 214.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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