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Chemical ID: 6666292
Chemical ID:
6666292
Name [?]:
1-methyl-4-(phenoxymethyl)benzene
SMILES [?]:
Cc1ccc(cc1)COc2ccccc2
InChi [?]:
InChI=1/C14H14O/c1-12-7-9-13(10-8-12)11-15-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,7,4,6,8,2,5,10,9/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.64611 |
Area: | 392.458 |
Solvation: | -2.16535 |
Coulombic: | -10.5683 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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