Cas no 136795-25-0 (2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]-)

2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]- structure
136795-25-0 structure
Product Name:2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]-
CAS No:136795-25-0
MF:C21H28O3
MW:328.445226669312
CID:1242351
PubChem ID:59366738
Update Time:2025-04-20

2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]-
    • 1,3-bis(4-propan-2-ylphenoxy)propan-2-ol
    • DTXSID60731666
    • SCHEMBL5018996
    • 1,3-Bis[4-(propan-2-yl)phenoxy]propan-2-ol
    • 136795-25-0
    • Inchi: 1S/C21H28O3/c1-15(2)17-5-9-20(10-6-17)23-13-19(22)14-24-21-11-7-18(8-12-21)16(3)4/h5-12,15-16,19,22H,13-14H2,1-4H3
    • InChI Key: VYMACICHPSDGKU-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)C(C)C)CC(COC1C=CC(=CC=1)C(C)C)O

Computed Properties

  • Exact Mass: 328.20394
  • Monoisotopic Mass: 328.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 8
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.69
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