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Chemical ID: 5066239
Chemical ID:
5066239
Name [?]:
1-methoxy-2-[(2-methoxyphenyl)methyl]benzene
SMILES [?]:
COc1ccccc1Cc2ccccc2OC
InChi [?]:
InChI=1/C15H16O2/c1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,6,12,5,13,7,11,4,14,9,8,10,3,15,2,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)/rA:17nCOCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08921 |
Area: | 404.402 |
Solvation: | -3.02084 |
Coulombic: | -17.1504 |
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: | 3.61 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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