| CAS Number | 22543-74-4 |
| Catalog Number | AG00BDV4(AGN-PC-0QZ4CP) |
| Chemical Name | 4-tert-Butylbenzhydrol |
| IUPAC Name | (4-tert-butylphenyl)-phenylmethanol |
| InChI | InChI=1S/C17H20O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3 |
| InChI Key | RIXWZJSPMCRTGU-UHFFFAOYSA-N |
| MDL Number | MFCD06201248 |
| Molecular Formula | C17H20O |
| Molecular Weight | 240.3401 |
| SMILES | C(O)(C1=CC=CC=C1)C1C=CC(=CC=1)C(C)(C)C |
| Synonyms | 4-tert-Butylbenzhydrol,
22543-74-4,
AC1MBVFK,
SCHEMBL477635,
CTK7J6390,
(4-t-butylphenyl)phenyl methanol,
DTXSID80373789,
(4-tert-butylphenyl)-phenylmethanol,
AKOS003583252,
AKOS022312636,
(4-TERT-BUTYLPHENYL)(PHENYL)METHANOL,
ZINC04242210,
CID2757249,
(4-(tert-butyl)phenyl)(phenyl)methanol,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.346g/mol |
| Monoisotopic Mass | 240.151g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number