Chemical ID: 4775809

COc1cc(cc(c1OC)OC)C(CC(=O)c2ccccc2)CC(=O)c3ccccc3
Chemical ID:
4775809
Name [?]:
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-pentane-1,5-dione
SMILES [?]:
COc1cc(cc(c1OC)OC)C(CC(=O)c2ccccc2)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C26H26O5/c1-29-24-16-21(17-25(30-2)26(24)31-3)20(14-22(27)18-10-6-4-7-11-18)15-23(28)19-12-8-5-9-13-19/h4-13,16-17,20H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,20,29,19,21,28,30,18,22,27,31,14,23,4,6,17,26,13,5,15,24,3,7,8,16,25,2,11,9/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(22,23)(24,25)(27,28)(29,30)/rA:31nCOCCCCCCOCOCCCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.6682
Area:661.955
Solvation:-7.88067
Coulombic:-39.6586
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:418.482
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.26
LogP (Chemaxon):3.86

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Descriptor Annotations

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