Chemical ID: 7039181

COc1ccc(c(c1)C(=O)C=Cc2cccc(c2)O)OC
Chemical ID:
7039181
Name [?]:
1-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)C(=O)C=Cc2cccc(c2)O)OC
InChi [?]:
InChI=1/C17H16O4/c1-20-14-7-9-17(21-2)15(11-14)16(19)8-6-12-4-3-5-13(18)10-12/h3-11,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,14,16,12,4,11,5,18,8,13,17,3,7,9,6,19,10,2,20/rA:21nCOCCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s6;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.21575
Area:495.799
Solvation:-6.17924
Coulombic:-38.1811
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:284.307
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.27
LogP (Chemaxon):3.22

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Descriptor Annotations

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