4-Methyl-3-phenoxypyridine

Substructure search Find similar structures

Basic information

CAS: 54629-96-8
Standard SMILES: Cc1ccncc1Oc1ccccc1
InChIKey: FERWLTQKKCMCTA-UHFFFAOYSA-N
Molecular formula: C12H11NO
Average molar mass: 185.22 g/mol
Monoisotopic mass: 185.08406397

Names & identifiers

Preferred name: 4-Methyl-3-phenoxypyridine
IUPAC: 4-methyl-3-phenoxypyridine
English name: 4-methyl-3-phenoxypyridine
Molecular formula: C12H11NO
Molecular weight: 185.22

Names & synonyms

4-Methyl-3-phenoxypyridine54629-96-8EINECS 259-262-1DTXSID10203060RefChem:99783DTXCID10125551259-262-13-phenoxy-4-methylpyridineCHEMBL118246SCHEMBL9339335SCHEMBL9339338DB-358415

Show more names

Pyridine, 4-methyl-3-phenoxy-

NS00033150

Database identifiers

CAS: 54629-96-8
PubChem CID: 3016902
DTXSID: DTXSID10203060
ChEMBL: CHEMBL118246
EC Number: 259-262-1
Nikkaji: J266.928E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 166

Related reactions

6 records

New reaction record

HRID 674615As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 851691As reactantuspto-grants-1983_05

HRID 1141101As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1195593As productuspto-grants-1992_05

HRID 1588174As productuspto-grants-1993_06

HRID 1761332As productuspto-grants-1989_05

Compound notes

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