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Chemical ID: 6653188
Chemical ID:
6653188
Name [?]:
1-methoxy-4-(1-phenylethoxy)benzene
SMILES [?]:
CC(c1ccccc1)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C15H16O2/c1-12(13-6-4-3-5-7-13)17-15-10-8-14(16-2)9-11-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,6,5,7,4,8,12,14,11,15,2,3,13,10,16,9/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.50294 |
Area: | 424.806 |
Solvation: | -3.11722 |
Coulombic: | -17.4887 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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