Chemical ID: 7039175

CCOc1ccccc1C=CC(=O)c2ccc(cc2)O
Chemical ID:
7039175
Name [?]:
3-(2-ethoxyphenyl)-1-(4-hydroxyphenyl)-prop-2-en-1-one
SMILES [?]:
CCOc1ccccc1C=CC(=O)c2ccc(cc2)O
InChi [?]:
InChI=1/C17H16O3/c1-2-20-17-6-4-3-5-14(17)9-12-16(19)13-7-10-15(18)11-8-13/h3-12,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,15,19,10,16,18,11,14,9,17,12,4,20,13,3/E:(7,8)(10,11)/rA:20nCCOCCCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O3
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.0376
Area:488.623
Solvation:-4.17799
Coulombic:-33.7696
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:268.307
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.78
LogP (Chemaxon):3.82

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