Chemical ID: 5189770

COc1cc(ccc1OCc2ccccc2)C=CC(=O)c3ccc4c(c3)OCO4
Chemical ID:
5189770
Name [?]:
1-benzo[1,3]dioxol-5-yl-3-(4-benzyloxy-3-methoxy-phenyl)-prop-2-en-1-one
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=CC(=O)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C24H20O5/c1-26-23-13-17(8-11-21(23)27-15-18-5-3-2-4-6-18)7-10-20(25)19-9-12-22-24(14-19)29-16-28-22/h2-14H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,17,6,22,18,7,23,4,26,10,28,5,11,21,19,8,24,3,25,20,2,9,29,27/E:(3,4)(5,6)/rA:29nCOCCCCCCOCCCCCCCCCCOCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;w17;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.96344
Area:617.94
Solvation:-7.48507
Coulombic:-40.7376
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:388.413
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.88
LogP (Chemaxon):4.97

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Descriptor Annotations

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