Chemical ID: 5081342

Cc1ccc(cc1)OCC(COc2ccc(cc2)C)O
Chemical ID:
5081342
Name [?]:
1,3-bis(4-methylphenoxy)propan-2-ol
SMILES [?]:
Cc1ccc(cc1)OCC(COc2ccc(cc2)C)O
InChi [?]:
InChI=1/C17H20O3/c1-13-3-7-16(8-4-13)19-11-15(18)12-20-17-9-5-14(2)6-10-17/h3-10,15,18H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,3,7,15,17,4,6,14,18,9,11,2,16,10,5,13,20,8,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)(19,20)/rA:20nCCCCCCCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.76256
Area:497.703
Solvation:-5.68002
Coulombic:-32.4044
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.339
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.97

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