| CAS Number | 1156397-04-4 |
| Catalog Number | AG01AFVQ |
| Chemical Name | 1-[3-(Propan-2-yloxy)phenyl]ethan-1-ol |
| IUPAC Name | 1-(3-propan-2-yloxyphenyl)ethanol |
| InChI | InChI=1S/C11H16O2/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-9,12H,1-3H3 |
| InChI Key | LBNKLYCKUMWXNX-UHFFFAOYSA-N |
| MDL Number | MFCD11520978 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CC(OC1=CC(C(O)C)=CC=C1)C |
| Synonyms | 1156397-04-4,
1-[3-(propan-2-yloxy)phenyl]ethan-1-ol,
1-(3-isopropoxyphenyl)ethanol,
1-(3-iso-Propoxyphenyl)ethanol,
1344939-96-3,
SCHEMBL6055421,
NE55021,
(1S)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol,
(1R)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol,
1344934-68-4,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number