Chemical ID: 4554016

CCOc1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OCc4cccc(c4)Oc5ccccc5)C
Chemical ID:
4554016
Name [?]:
3-(4-ethoxyphenoxy)-2-methyl-7-[(3-phenoxyphenyl)methoxy]chromen-4-one
SMILES [?]:
CCOc1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OCc4cccc(c4)Oc5ccccc5)C
InChi [?]:
InChI=1/C31H26O6/c1-3-33-23-12-14-25(15-13-23)37-31-21(2)35-29-19-26(16-17-28(29)30(31)32)34-20-22-8-7-11-27(18-22)36-24-9-5-4-6-10-24/h4-19H,3,20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,2,34,33,35,26,25,32,36,27,5,9,6,8,17,18,29,15,23,12,24,4,31,7,16,28,19,14,20,11,21,3,22,13,30,10/E:(5,6)(9,10)(12,13)(14,15)/rA:37nCCOCCCCCCOCCOCCCCCCCOOCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;s23;s24;d25;s26;d27;d24s28;s28;s30;s31;d32;s33;d34;d31s35;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.4679
Area:750.439
Solvation:-6.29308
Coulombic:-49.1612
Bond Count [?]
All:41
Single:27
Double:14
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:494.535
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:7.16
LogP (Chemaxon):6.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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