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Chemical ID: 6884185
Chemical ID:
6884185
Name [?]:
3-(4-methoxyphenoxy)-7-[(4-tert-butylphenyl)methoxy]chromen-4-one
SMILES [?]:
CC(C)(C)c1ccc(cc1)COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C27H26O5/c1-27(2,3)19-7-5-18(6-8-19)16-30-22-13-14-23-24(15-22)31-17-25(26(23)28)32-21-11-9-20(29-4)10-12-21/h5-15,17H,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,32,7,9,6,10,27,29,26,30,14,15,18,11,20,8,5,28,25,13,16,17,21,22,2,23,31,12,19,24/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:32nCCCCCCCCCCCOCCCCCCOCCCOOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s16s21;d22;s21;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26O5 |
All Atoms: | 58 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2375 |
Area: | 678.469 |
Solvation: | -5.72421 |
Coulombic: | -41.0362 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 430.492 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.84 |
LogP (Chemaxon): | 6.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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