Chemical ID: 7231228

COc1cc(ccc1O)C=CC(=CC(=O)c2ccccc2)O
Chemical ID:
7231228
Name [?]:
3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-penta-2,4-dien-1-one
SMILES [?]:
COc1cc(ccc1O)C=CC(=CC(=O)c2ccccc2)O
InChi [?]:
InChI=1/C18H16O4/c1-22-18-11-13(8-10-16(18)20)7-9-15(19)12-17(21)14-5-3-2-4-6-14/h2-12,19-20H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,10,6,11,7,4,13,5,16,12,8,14,3,22,9,15,2/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.64615
Area:517.594
Solvation:-5.2937
Coulombic:-50.092
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.55
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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