| CAS Number | 14151-63-4 |
| Catalog Number | AG001GJO(AGN-PC-0019C7) |
| Chemical Name | 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol |
| InChI | InChI=1S/C16H18O2/c1-11-10-13(6-9-15(11)18)16(2,3)12-4-7-14(17)8-5-12/h4-10,17-18H,1-3H3 |
| InChI Key | HFRAJYYHALXFLZ-UHFFFAOYSA-N |
| MDL Number | MFCD30534142 |
| Molecular Formula | C16H18O2 |
| Molecular Weight | 242.3129 |
| SMILES | OC1=CC=C(C=C1)C(C)(C)C1=CC(=C(C=C1)O)C |
| Synonyms | 14151-63-4,
Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-2-methyl-,
2-(4-hydroxy-3-methylphenyl)-2-(4'-hydroxyphenyl)propane,
methylbisphenol-a,
SCHEMBL1862016,
CHEMBL2403345,
CTK0B6925,
DTXSID70559717,
HFRAJYYHALXFLZ-UHFFFAOYSA-N,
2-methyl-4,4'-(1-methylethylidene)bisphenol,
4-[2-(4-Hydroxyphenyl)propan-2-yl]-2-methylphenol,
Phenol,4-[1-(4-hydroxyphenyl)-1-methylethyl]-2-methyl-,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.318g/mol |
| Monoisotopic Mass | 242.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number