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Chemical ID: 5854866
Chemical ID:
5854866
Name [?]:
(2,5-dimethylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1ccc(c(c1)OC(=O)C=Cc2ccc(c(c2)OC)OC)C
InChi [?]:
InChI=1/C19H20O4/c1-13-5-6-14(2)17(11-13)23-19(20)10-8-15-7-9-16(21-3)18(12-15)22-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,22,20,3,4,14,12,15,11,7,18,2,5,13,16,6,17,9,10,21,19,8/rA:23nCCCCCCCOCOCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21573 |
Area: | 504.178 |
Solvation: | -5.38873 |
Coulombic: | -34.3009 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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