Chemical ID: 4152896

COc1cccc(c1C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)c5ccccc5)OC
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue