1-(2,4-Dichlorophenoxy)propan-2-ol
Basic information
- CAS
5330-18-7- Standard SMILES
CC(O)COc1ccc(Cl)cc1Cl- InChIKey
FCXMBTHLXLLDFS-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O2
- Average molar mass
- 221.08 g/mol
- Monoisotopic mass
- 220.0057849
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenoxy)propan-2-ol
- IUPAC
- 1-(2,4-dichlorophenoxy)propan-2-ol
- English name
- 1-(2,4-dichlorophenoxy)propan-2-ol
- Molecular formula
- C9H10Cl2O2
- Molecular weight
- 221.0805
Names & synonyms
1-(2,4-Dichlorophenoxy)propan-2-ol5330-18-71-(2,4-DICHLOROPHENOXY)-2-PROPANOLNSC2647EINECS 226-223-5AI3-18191CHEMBL3277204SCHEMBL11595834SCHEMBL21855114FCXMBTHLXLLDFS-UHFFFAOYSA-NDTXSID801298226NSC 2647
Show more names
2-(2,4-DICHLOROPHENOXY)PROPAN-1-OL
NSC-2647AKOS0146127632-Propanol, 1-(2,4-dichlorophenoxy)-NS00045413
Database identifiers
- CAS
5330-18-7- PubChem CID
- 95341
- DTXSID
DTXSID801298226- ChEMBL
CHEMBL3277204- EC Number
- 226-223-5
- Nikkaji
- J298.009F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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