Chemical ID: 6884185

CC(C)(C)c1ccc(cc1)COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
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

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