| CAS Number | 1021030-78-3 |
| Catalog Number | AG01A4MI |
| Chemical Name | [3-methoxy-4-(3-phenylpropoxy)phenyl]methanol |
| IUPAC Name | [3-methoxy-4-(3-phenylpropoxy)phenyl]methanol |
| InChI | InChI=1S/C17H20O3/c1-19-17-12-15(13-18)9-10-16(17)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3 |
| InChI Key | JEKAFPWFMDEQDZ-UHFFFAOYSA-N |
| MDL Number | MFCD13566860 |
| Molecular Formula | C17H20O3 |
| Molecular Weight | 272.3389 |
| SMILES | COC1=C(OCCCC2=CC=CC=C2)C=CC(CO)=C1 |
| Synonyms | [3-methoxy-4-(3-phenylpropoxy)phenyl]methanol,
1021030-78-3,
ZINC20032145,
AKOS000248033,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.344g/mol |
| Monoisotopic Mass | 272.141g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number