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Chemical ID: 7513032
Chemical ID:
7513032
Name [?]:
1-methoxy-4-(3-phenoxypropoxy)benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2ccccc2
InChi [?]:
InChI=1/C16H18O3/c1-17-14-8-10-16(11-9-14)19-13-5-12-18-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,11,15,19,4,8,5,7,12,10,3,14,6,2,13,9/E:(3,4)(6,7)(8,9)(10,11)/rA:19nCOCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18O3 |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.23236 |
Area: | 480.542 |
Solvation: | -4.78118 |
Coulombic: | -23.4133 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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