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Chemical ID: 6875841
Chemical ID:
6875841
Name [?]:
2-methoxyethyl 2-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(C)C(=O)OCCOC
InChi [?]:
InChI=1/C23H24O7/c1-4-16-7-5-6-8-19(16)30-21-14-28-20-13-17(9-10-18(20)22(21)24)29-15(2)23(25)27-12-11-26-3/h5-10,13-15H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,30,2,5,6,4,7,16,17,28,27,14,11,22,3,15,18,8,13,10,19,24,20,25,29,26,12,21,9/rA:30cCCCCCCCCOCCOCCCCCCCOOCCCOOCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;s22;d24;s24;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O7 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.56776 |
Area: | 656.061 |
Solvation: | -6.83376 |
Coulombic: | -59.8273 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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