Chemical ID: 7039173

COc1cc(ccc1O)C=CC(=O)c2ccccc2
Chemical ID:
7039173
Name [?]:
3-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
COc1cc(ccc1O)C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,10,6,11,7,4,5,14,12,8,3,13,9,2/E:(3,4)(5,6)/rA:19nCOCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O3
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.12048
Area:462.586
Solvation:-4.44417
Coulombic:-33.9807
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:254.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.36
LogP (Chemaxon):3.48

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