Chemical ID: 4146773

COc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
Chemical ID:
4146773
Name [?]:
[3-(4-methoxyphenoxy)-4-oxo-chromen-7-yl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C24H18O7/c1-27-16-5-3-15(4-6-16)24(26)31-19-11-12-20-21(13-19)29-14-22(23(20)25)30-18-9-7-17(28-2)8-10-18/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,5,7,4,8,26,28,25,29,13,14,17,19,6,3,27,24,12,15,16,20,21,9,22,10,2,30,18,23,11/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCOCCCCCCCOOCCCCCCOCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s15s20;d21;s20;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.66011
Area:642.006
Solvation:-6.39003
Coulombic:-58.3454
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.396
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.82
LogP (Chemaxon):4.32

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Descriptor Annotations

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