Basic information
- CAS
15895-54-2- Standard SMILES
CC(O)(CO)COc1ccccc1- InChIKey
FDXOWEXWCPILKM-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- 1,2-Propanediol, 2-methyl-3-phenoxy-
- IUPAC
- 2-methyl-3-phenoxypropane-1,2-diol
- English name
- 2-Methyl-3-phenoxy-1,2-propanediol
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
15895-54-21,2-Propanediol, 2-methyl-3-phenoxy-RefChem:10524062-methyl-3-phenoxypropane-1,2-diol2-Methyl-3-phenoxy-1,2-propanediolBRN 32401224-06-00-00593 (Beilstein Handbook Reference)SCHEMBL29364033DTXSID10936023
Database identifiers
- CAS
15895-54-2- PubChem CID
- 85173
- DTXSID
DTXSID10936023- Nikkaji
- J50.865I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 337.5 · 337.5±22.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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