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Chemical ID: 6653190
Chemical ID:
6653190
Name [?]:
1-methyl-4-(1-phenylethoxy)benzene
SMILES [?]:
Cc1ccc(cc1)OC(C)c2ccccc2
InChi [?]:
InChI=1/C15H16O/c1-12-8-10-15(11-9-12)16-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,14,13,15,12,16,3,7,4,6,2,9,11,5,8/E:(4,5)(6,7)(8,9)(10,11)/rA:16cCCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.46805 |
Area: | 410.137 |
Solvation: | -1.78536 |
Coulombic: | -11.2493 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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