Cas no 5755-58-8 (1-Propanol,3-[(4-chlorophenyl)thio]-)

1-Propanol,3-[(4-chlorophenyl)thio]- structure
5755-58-8 structure
Product Name:1-Propanol,3-[(4-chlorophenyl)thio]-
CAS No:5755-58-8
MF:C23H28O7
MW:416.464227676392
CID:384260
PubChem ID:1364711
Update Time:2025-04-19

1-Propanol,3-[(4-chlorophenyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanol,3-[(4-chlorophenyl)thio]-
    • 1-[4-[2-hydroxy-3-(2-methoxy-4-propanoylphenoxy)propoxy]-3-methoxyphenyl]propan-1-one
    • 1,1'-{(2-Hydroxypropane-1,3-diyl)bis[oxy(3-methoxy-4,1-phenylene)]}dipropan-1-one
    • 1-propanone, 1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(3-methoxy-4,1-phenylene)]]bis-
    • 1,1'-(((2-hydroxypropane-1,3-diyl)bis(oxy))bis(3-methoxy-4,1-phenylene))bis(propan-1-one)
    • NPD603
    • 1,1'-{(2-hydroxypropane-1,3-diyl)bis[oxy(3-methoxybenzene-4,1-diyl)]}dipropan-1-one
    • 1-{4-[2-HYDROXY-3-(2-METHOXY-4-PROPANOYLPHENOXY)PROPOXY]-3-METHOXYPHENYL}PROPAN-1-ONE
    • AKOS001608095
    • SR-01000422858
    • SR-01000422858-1
    • 5755-58-8
    • Oprea1_403761
    • Cambridge id 5755588
    • BIM-0031728.P001
    • DTXSID70362208
    • CBMicro_031775
    • Inchi: 1S/C23H28O7/c1-5-18(25)15-7-9-20(22(11-15)27-3)29-13-17(24)14-30-21-10-8-16(19(26)6-2)12-23(21)28-4/h7-12,17,24H,5-6,13-14H2,1-4H3
    • InChI Key: ZPRYCPWLOCWSSN-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(CC)=O)=CC=1OC)CC(COC1C=CC(C(CC)=O)=CC=1OC)O

Computed Properties

  • Exact Mass: 416.18354
  • Monoisotopic Mass: 416.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 12
  • Complexity: 492
  • 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: 3.2
  • Topological Polar Surface Area: 91.3?2

Experimental Properties

  • Density: 1.167
  • Boiling Point: 592.8°Cat760mmHg
  • Flash Point: 200.4°C
  • Refractive Index: 1.543
  • PSA: 91.29
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