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Chemical ID: 4282471
Chemical ID:
4282471
Name [?]:
1-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)C=Cc2ccccc2OC
InChi [?]:
InChI=1/C18H18O4/c1-20-14-9-10-15(18(12-14)22-3)16(19)11-8-13-6-4-5-7-17(13)21-2/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,10,17,18,16,19,14,4,5,13,8,15,3,6,11,20,7,12,2,21,9/rA:22nCOCCCCCCOCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.68402 |
Area: | 491.988 |
Solvation: | -6.61569 |
Coulombic: | -29.4946 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 298.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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