2-(Benzyloxy)-2-methyl-1-propanol - CAS 91968-71-7
Catalog: |
BB040395 |
Product Name: |
2-(Benzyloxy)-2-methyl-1-propanol |
CAS: |
91968-71-7 |
Synonyms: |
2-methyl-2-phenylmethoxy-1-propanol; 2-methyl-2-phenylmethoxypropan-1-ol |
IUPAC Name: | 2-methyl-2-phenylmethoxypropan-1-ol |
Description: | 2-Benzyloxy-2-methylpropan-1-ol useful for synthesis of heterocyclic compounds. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CC(C)(CO)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H16O2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 |
InChI Key: | FRHJVAJQSPVSKV-UHFFFAOYSA-N |
Boiling Point: | 274.2 °C at 760 mmHg |
Density: | 1.025 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD08459314 |
LogP: | 1.97410 |
Publication Number | Title | Priority Date |
US-2021284670-A1 | Antiviral compounds | 20200218 |
US-2021292348-A1 | Antiviral compounds | 20200218 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2021168004-A1 | Antiviral compounds | 20200218 |
WO-2021168038-A1 | Antiviral compounds | 20200218 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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