ChemDB: Chemical Search
Download
Chemical ID: 6847097
Chemical ID:
6847097
Name [?]:
methyl 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxypropanoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OC(C)C(=O)OC)C
InChi [?]:
InChI=1/C23H24O7/c1-12-9-13(2)20-16(10-12)19(24)22(29-14(3)23(25)28-6)21(30-20)15-7-8-17(26-4)18(11-15)27-5/h7-11,14H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,30,25,22,20,29,14,15,3,7,18,2,4,24,13,6,16,17,8,5,11,10,26,9,27,21,19,28,23,12/rA:30cCCCCCCCCOCCOCCCCCCOCOCOCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;s24;d26;s26;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O7 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.1844 |
Area: | 608.368 |
Solvation: | -7.02481 |
Coulombic: | -59.3223 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.33 |
LogP (Chemaxon): | 3.91 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|