ChemDB: Chemical Search
Download
Chemical ID: 4152896
Chemical ID:
4152896
Name [?]:
[4-oxo-3-(4-phenylphenoxy)-chromen-7-yl] 2,6-dimethoxybenzoate
SMILES [?]:
COc1cccc(c1C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)c5ccccc5)OC
InChi [?]:
InChI=1/C30H22O7/c1-33-24-9-6-10-25(34-2)28(24)30(32)37-22-15-16-23-26(17-22)35-18-27(29(23)31)36-21-13-11-20(12-14-21)19-7-4-3-5-8-19/h3-18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,33,32,34,5,31,35,4,6,26,28,25,29,13,14,17,19,30,27,24,12,15,3,7,16,20,8,21,9,22,10,2,36,18,23,11/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(24,25)(33,34)/rA:37nCOCCCCCCCOOCCCCCCOCCCOOCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s15s20;d21;s20;s23;s24;d25;s26;d27;d24s28;s27;s30;d31;s32;d33;d30s34;s7;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H22O7 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5559 |
Area: | 736.155 |
Solvation: | -6.84796 |
Coulombic: | -60.3715 |
Bond Count [?]
All: | 41 |
Single: | 26 |
Double: | 15 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 494.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.76 |
LogP (Chemaxon): | 6.01 |
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 |
---|