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Chemical ID: 4744520
Chemical ID:
4744520
Name [?]:
1-[2-[(2,3,4,5,6-pentamethylphenyl)methoxy]phenyl]ethanone
SMILES [?]:
Cc1c(c(c(c(c1C)C)COc2ccccc2C(=O)C)C)C
InChi [?]:
InChI=1/C20H24O2/c1-12-13(2)15(4)19(16(5)14(12)3)11-22-20-10-8-7-9-18(20)17(6)21/h7-10H,11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,22,9,21,20,15,14,16,13,10,2,7,3,6,4,18,17,5,12,19,11/E:(2,3)(4,5)(13,14)(15,16)/rA:22nCCCCCCCCCCOCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28924 |
Area: | 506.86 |
Solvation: | -4.38226 |
Coulombic: | -14.5573 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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