Chemical ID: 4571810

Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)C(=O)OC)Oc4ccc(cc4)OC
Chemical ID:
4571810
Name [?]:
methyl 4-[[3-(4-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxymethyl]benzoate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)C(=O)OC)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C26H22O7/c1-16-25(33-20-10-8-19(29-2)9-11-20)24(27)22-13-12-21(14-23(22)32-16)31-15-17-4-6-18(7-5-17)26(28)30-3/h4-14H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,24,16,20,17,19,28,30,27,31,8,7,10,14,2,15,18,29,26,9,6,11,4,3,21,5,22,32,23,13,12,25/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCOCCCCCCOOCCCCCCCCOOCOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s3;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22O7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.7838
Area:687.727
Solvation:-6.40935
Coulombic:-59.5926
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.449
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.2
LogP (Chemaxon):4.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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