Chemical ID: 6875841

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(C)C(=O)OCCOC
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

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Descriptor Annotations

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