Basic information
- CAS
1111108-16-7- Standard SMILES
O=c1ncc(-c2cccc(OCc3ccccc3)c2)c[nH]1- InChIKey
BIBJZPBPNUEQSY-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- 5-(3-(Benzyloxy)phenyl)pyrimidin-2-ol
- IUPAC
- 5-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one
Names & synonyms
1111108-16-75-(3-(Benzyloxy)phenyl)pyrimidin-2-olDTXSID406538175-[3-(Benzyloxy)phenyl]pyrimidin-2(1H)-one
Database identifiers
- CAS
1111108-16-7- PubChem CID
- 39796629
- DTXSID
DTXSID40653817
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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