Basic information
- Standard SMILES
Cc1ccc(-c2c(Cl)ncnc2OCCO)cc1- InChIKey
YIILLDHDWFKKIV-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O2
- Average molar mass
- 264.71 g/mol
Names & identifiers
- Preferred name
- 2-{6-Chloro-5-(4-methylphenyl)pyrimidin-4-yloxy}ethanol
- IUPAC
- 2-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]oxyethanol
Names & synonyms
SCHEMBL7491543YIILLDHDWFKKIV-UHFFFAOYSA-N169677-44-5DB-0895752-{6-chloro-5-(4-methylphenyl)pyrimidin-4-yloxy}-ethanol2-{6-chloro-5-(4-methylphenyl)pyrimidin-4-yloxy}ethanol
Database identifiers
- PubChem CID
- 11118967
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Related reactions
5 records
Compound notes
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