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Chemical ID: 4154059
Chemical ID:
4154059
Name [?]:
propyl 2-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(ccc3C)C
InChi [?]:
InChI=1/C23H24O6/c1-5-10-26-23(25)16(4)28-17-8-9-18-20(12-17)27-13-21(22(18)24)29-19-11-14(2)6-7-15(19)3/h6-9,11-13,16H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,8,2,25,26,11,12,3,23,15,17,24,27,7,10,13,22,14,18,19,5,20,6,4,16,9,21/rA:29cCCCOCOCCOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1277 |
Area: | 639.048 |
Solvation: | -4.8485 |
Coulombic: | -52.6122 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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