Chemical ID: 4237218

Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)OC)c4ccc(cc4)OC
Chemical ID:
4237218
Name [?]:
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)OC)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H22O5/c1-16-24(18-6-10-20(28-3)11-7-18)25(26)22-13-12-21(14-23(22)30-16)29-15-17-4-8-19(27-2)9-5-17/h4-14H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,30,16,20,24,28,17,19,25,27,8,7,10,14,2,15,23,18,26,9,6,11,3,4,5,21,29,13,12/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCOCCCCCCOOCCCCCCCOCCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s3;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.53511
Area:635.683
Solvation:-6.35696
Coulombic:-39.0009
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.23
LogP (Chemaxon):4.89

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