| CAS Number | 478032-35-8 |
| Catalog Number | AG00IPKF(AGN-PC-0WAT2A) |
| Chemical Name | {2-[4-(tert-butyl)phenoxy]phenyl}methanol |
| IUPAC Name | [2-(4-tert-butylphenoxy)phenyl]methanol |
| InChI | InChI=1S/C17H20O2/c1-17(2,3)14-8-10-15(11-9-14)19-16-7-5-4-6-13(16)12-18/h4-11,18H,12H2,1-3H3 |
| InChI Key | OEFFIDGSEYSFRB-UHFFFAOYSA-N |
| MDL Number | MFCD01814821 |
| Molecular Formula | C17H20O2 |
| Molecular Weight | 256.3395 |
| SMILES | O(C1(=C(C=CC=C1)CO))C2(=CC=C(C(C)(C)C)C=C2) |
| Synonyms | [2-(4-tert-butylphenoxy)phenyl]methanol,
478032-35-8,
{2-[4-(tert-butyl)phenoxy]phenyl}methanol,
Oprea1_849150,
AC1MV375,
KS-00001VOG,
ZINC5481586,
ZX-RL001427,
MFCD01814821,
AKOS005088834,
MCULE-2204332224,
OR110503,
3P-007,
CID3676915,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.345g/mol |
| Monoisotopic Mass | 256.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number