Chemical ID: 6681841

c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)CCl
Chemical ID:
6681841
Name [?]:
1,2-dibenzyloxy-4-(chloromethyl)benzene
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)CCl
InChi [?]:
InChI=1/C21H19ClO2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,11,10,13,23,7,16,4,17,12,9,14,24,8,15/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCOCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s12;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.38584
Area:579.391
Solvation:-5.09894
Coulombic:-18.9257
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:338.827
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):5.71

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