Cas no 18494-82-1 (2H-Pyran, tetrahydro-2-[(4-methoxyphenyl)methoxy]-)

2H-Pyran, tetrahydro-2-[(4-methoxyphenyl)methoxy]- structure
18494-82-1 structure
Product Name:2H-Pyran, tetrahydro-2-[(4-methoxyphenyl)methoxy]-
CAS No:18494-82-1
MF:C13H18O3
MW:222.280224323273
CID:1379053
PubChem ID:11064015
Update Time:2025-04-20

2H-Pyran, tetrahydro-2-[(4-methoxyphenyl)methoxy]- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran, tetrahydro-2-[(4-methoxyphenyl)methoxy]-
    • 2-[(4-methoxyphenyl)methoxy]oxane
    • 4-MeOC6H4CH2OTHP
    • 4-methoxybenzyl tetrahydropyranyl ether
    • DTXSID80453893
    • 2-((4-methoxybenzyl)oxy)tetrahydro-2h-pyran
    • SCHEMBL8321396
    • 18494-82-1
    • Inchi: 1S/C13H18O3/c1-14-12-7-5-11(6-8-12)10-16-13-4-2-3-9-15-13/h5-8,13H,2-4,9-10H2,1H3
    • InChI Key: MHAGMPHUTYYYAT-UHFFFAOYSA-N
    • SMILES: O1CCCCC1OCC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 222.12600
  • Monoisotopic Mass: 222.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69000
  • LogP: 2.73840

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