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Chemical ID: 6681841
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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