| CAS Number | 893737-20-7 |
| Catalog Number | AG00IFOL(AGN-PC-0WRA1V) |
| Chemical Name | 3-(4-t-butylphenyl)phenol |
| IUPAC Name | 3-(4-tert-butylphenyl)phenol |
| InChI | InChI=1S/C16H18O/c1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(17)11-13/h4-11,17H,1-3H3 |
| InChI Key | OYWRUFONTHFTPV-UHFFFAOYSA-N |
| MDL Number | MFCD06802328 |
| Molecular Formula | C16H18O |
| Molecular Weight | 226.3135 |
| SMILES | C1(C2=CC=C(C(C)(C)C)C=C2)C=CC=C(O)C=1 |
| Synonyms | 3-(4-t-Butylphenyl)phenol,
893737-20-7,
4'-Tert-butyl[1,1'-biphenyl]-3-ol,
4'-(tert-Butyl)-[1,1'-biphenyl]-3-ol,
3-(4-tert-butylphenyl)phenol,
SCHEMBL4291389,
DTXSID10433406,
MFCD06802328,
ZINC16947029,
AKOS004116202,
BB 0223393,
CID9964584,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.319g/mol |
| Monoisotopic Mass | 226.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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