Chemical ID: 4894523

CCCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OCc4cc(ccc4C)C)C
Chemical ID:
4894523
Name [?]:
propyl 4-[7-[(2,5-dimethylphenyl)methoxy]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OCc4cc(ccc4C)C)C
InChi [?]:
InChI=1/C29H28O6/c1-5-14-32-29(31)21-8-10-23(11-9-21)35-28-20(4)34-26-16-24(12-13-25(26)27(28)30)33-17-22-15-18(2)6-7-19(22)3/h6-13,15-16H,5,14,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,33,35,2,30,31,8,12,9,11,20,21,3,28,18,26,29,32,15,7,27,10,19,22,17,23,14,5,24,6,4,25,16,13/E:(8,9)(10,11)/rA:35nCCCOCOCCCCCCOCCOCCCCCCCOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s14s22;d23;s19;s25;s26;s27;d28;s29;d30;d27s31;s32;s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H28O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.8565
Area:743.306
Solvation:-4.7262
Coulombic:-53.9064
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:472.529
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.94
LogP (Chemaxon):6.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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