Chemical ID: 4941593

COc1cc(c(c(c1)OC)C(=O)C=Cc2ccccc2)O
Chemical ID:
4941593
Name [?]:
1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-phenyl-prop-2-en-1-one
SMILES [?]:
COc1cc(c(c(c1)OC)C(=O)C=Cc2ccccc2)O
InChi [?]:
InChI=1/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,16,20,14,13,4,8,15,3,11,5,7,6,12,21,2,9/E:(4,5)(6,7)/rA:21nCOCCCCCCOCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.83175
Area:462.96
Solvation:-5.74226
Coulombic:-38.5156
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:3.7
LogP (Chemaxon):3.87

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Descriptor Annotations

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