Basic information
- CAS
3894-16-4- Standard SMILES
CC(CO)(CO)COc1ccccc1Cl- InChIKey
XUPWSSQZGXIAOC-UHFFFAOYSA-N- Molecular formula
- C11H15ClO3
- Average molar mass
- 230.69 g/mol
- Monoisotopic mass
- 230.070972
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-
- IUPAC
- 2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol
- English name
- 2-[(o-Chlorophenoxy)methyl]-2-methyl-1,3-propanediol
- Molecular weight
- 0
Names & synonyms
HC 16543894-16-41,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-BRN 25578882-((o-Chlorophenoxy)methyl)-2-methyl-1,3-propanediolDTXSID001922322-[(o-Chlorophenoxy)methyl]-2-methyl-1,3-propanediolRefChem:219587DTXCID101147232-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diolHC-1654
Database identifiers
- CAS
3894-16-4- PubChem CID
- 199256
- DTXSID
DTXSID00192232- Nikkaji
- J64.281I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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