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Chemical ID: 7039175
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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