Chemical ID: 4154085

CCOCCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(ccc3C)C
Chemical ID:
4154085
Name [?]:
2-ethoxyethyl 2-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCOCCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(ccc3C)C
InChi [?]:
InChI=1/C24H26O7/c1-5-27-10-11-28-24(26)17(4)30-18-8-9-19-21(13-18)29-14-22(23(19)25)31-20-12-15(2)6-7-16(20)3/h6-9,12-14,17H,5,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,10,2,27,28,13,14,4,5,25,17,19,26,29,9,12,15,24,16,20,21,7,22,8,3,6,18,11,23/rA:31cCCOCCOCOCCOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s15s20;d21;s20;s23;s24;d25;s26;d27;d24s28;s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.3614
Area:684.644
Solvation:-6.75474
Coulombic:-59.4769
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.459
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.53
LogP (Chemaxon):4.57

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Descriptor Annotations

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