| CAS Number | 851630-50-7 |
| Catalog Number | AG019NXS |
| Chemical Name | [2-(benzyloxy)-3-ethoxyphenyl]methanol |
| IUPAC Name | (3-ethoxy-2-phenylmethoxyphenyl)methanol |
| InChI | InChI=1S/C16H18O3/c1-2-18-15-10-6-9-14(11-17)16(15)19-12-13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3 |
| InChI Key | XGSSYQQGMMJMGF-UHFFFAOYSA-N |
| MDL Number | MFCD04515735 |
| Molecular Formula | C16H18O3 |
| Molecular Weight | 258.3123 |
| SMILES | CCOC1=C(OCC2=CC=CC=C2)C(CO)=CC=C1 |
| Synonyms | [2-(benzyloxy)-3-ethoxyphenyl]methanol,
851630-50-7,
AC1LIXY1,
AC1Q35YD,
CTK8F2407,
HMS1734L06,
ZINC575359,
AKOS000291553,
MCULE-5052226106,
NE24674,
(3-ethoxy-2-phenylmethoxyphenyl)methanol,
EN300-12100,
Z57327767,
CID964400,
ZINC00575359,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.317g/mol |
| Monoisotopic Mass | 258.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number