Chemical ID: 4152881

COC(=O)COc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)c4ccccc4
Chemical ID:
4152881
Name [?]:
methyl 2-[4-oxo-3-(4-phenylphenoxy)-chromen-7-yl]oxyacetate
SMILES [?]:
COC(=O)COc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C24H18O6/c1-27-23(25)15-28-19-11-12-20-21(13-19)29-14-22(24(20)26)30-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,26,30,21,23,20,24,8,9,12,14,5,25,22,19,7,10,11,15,3,16,4,17,2,6,13,18/E:(3,4)(5,6)(7,8)(9,10)/rA:30nCOCOCOCCCCCCOCCCOOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s10s15;d16;s15;s18;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.85631
Area:630.305
Solvation:-5.90132
Coulombic:-52.2621
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.396
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.04
LogP (Chemaxon):4.6

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