Chemical ID: 5007330

c1cc(ccc1OCC(COc2ccc(cc2)Cl)O)Cl
Chemical ID:
5007330
Name [?]:
1,3-bis(4-chlorophenoxy)propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(COc2ccc(cc2)Cl)O)Cl
InChi [?]:
InChI=1/C15H14Cl2O3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10H2
InChi Info:
AuxInfo=1/0/N:2,4,14,16,1,5,13,17,8,10,3,15,9,6,12,20,18,19,7,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(16,17)(19,20)/rA:20nCCCCCCOCCCOCCCCCCClOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14Cl2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.37641
Area:526.892
Solvation:-5.79589
Coulombic:-32.6006
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.175
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):4.07

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