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Chemical ID: 4174134
Chemical ID:
4174134
Name [?]:
1,3-bis(2,4-dimethoxyphenyl)prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)OC)C=CC(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C19H20O5/c1-21-14-7-5-13(18(11-14)23-3)6-10-17(20)16-9-8-15(22-2)12-19(16)24-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,10,22,5,11,4,17,16,12,8,19,6,3,18,15,13,7,20,14,2,23,9,21/rA:24nCOCCCCCCOCCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.63996 |
Area: | 529.036 |
Solvation: | -7.58593 |
Coulombic: | -36.0225 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 328.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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