Chemical ID: 6847073

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OC(=O)c4ccccc4)C
Chemical ID:
6847073
Name [?]:
[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] benzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C26H22O6/c1-15-12-16(2)23-19(13-15)22(27)25(32-26(28)17-8-6-5-7-9-17)24(31-23)18-10-11-20(29-3)21(14-18)30-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,22,20,29,28,30,27,31,14,15,3,7,18,2,4,26,13,6,16,17,8,5,11,10,24,9,25,21,19,12,23/E:(6,7)(8,9)/rA:32nCCCCCCCCOCCOCCCCCCOCOCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s24;s26;d27;s28;d29;d26s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22O6
All Atoms:54
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.2908
Area:645.366
Solvation:-5.84335
Coulombic:-53.3255
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:430.449
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.68
LogP (Chemaxon):5.28

Name Annotations

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Descriptor Annotations

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