| CAS Number | 414881-77-9 |
| Catalog Number | AG01C5MO |
| Chemical Name | 3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)phenol |
| IUPAC Name | 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol |
| InChI | InChI=1S/C16H17NO/c18-16-7-3-4-13(10-16)11-17-9-8-14-5-1-2-6-15(14)12-17/h1-7,10,18H,8-9,11-12H2 |
| InChI Key | LWYYVXYAPUGZEZ-UHFFFAOYSA-N |
| MDL Number | MFCD00810836 |
| Molecular Formula | C16H17NO |
| Molecular Weight | 239.3123 |
| SMILES | OC1=CC(CN2CC3=C(C=CC=C3)CC2)=CC=C1 |
| Synonyms | 3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]phenol,
AC1O5CVB,
Oprea1_810825,
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol,
ZINC238601,
AKOS020287494,
MCULE-1807071959,
414881-77-9,
CID6456126,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.318g/mol |
| Monoisotopic Mass | 239.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number