1,3-Propanediol, 2-(o-chlorophenoxymethyl)-2-hydroxymethyl-
Basic information
- CAS
884-88-8- Standard SMILES
OCC(CO)(CO)COc1ccccc1Cl- InChIKey
XZSZWIVHLAUZLZ-UHFFFAOYSA-N- Molecular formula
- C11H15ClO4
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0658866
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-(o-chlorophenoxymethyl)-2-hydroxymethyl-
- IUPAC
- 2-[(2-chlorophenoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol
- English name
- 2-[(2-Chlorophenoxy)methyl]-2-(hydroxymethyl)-1,3-propanediol
- Molecular formula
- C11H15ClO4
- Molecular weight
- 246.69
Names & synonyms
BRN 2559566884-88-81,3-Propanediol, 2-(o-chlorophenoxymethyl)-2-hydroxymethyl-2-(o-Chlorophenoxymethyl)-2-hydroxymethyl-1,3-propanediolDTXSID502370214-06-00-00790 (Beilstein Handbook Reference)RefChem:219622DTXCID501595122-[(2-chlorophenoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol2-[(2-Chlorophenoxy)methyl]-2-(hydroxymethyl)-1,3-propanediol1,3-Propanediol, 2-[(2-chlorophenoxy)methyl]-2-(hydroxymethyl)-
Database identifiers
- CAS
884-88-8- PubChem CID
- 70166
- DTXSID
DTXSID50237021- Nikkaji
- J50.785G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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