Chemical ID: 4154064

Cc1cccc(c1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4cc(ccc4C)C
Chemical ID:
4154064
Name [?]:
[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 3-methylbenzoate
SMILES [?]:
Cc1cccc(c1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4cc(ccc4C)C
InChi [?]:
InChI=1/C25H20O5/c1-15-5-4-6-18(11-15)25(27)29-19-9-10-20-22(13-19)28-14-23(24(20)26)30-21-12-16(2)7-8-17(21)3/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,4,3,5,26,27,12,13,7,24,16,18,2,25,28,6,11,14,23,15,19,20,8,21,9,17,10,22/rA:30nCCCCCCCCOOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s14s19;d20;s19;s22;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2394
Area:626.579
Solvation:-3.42512
Coulombic:-46.0638
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.423
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.09
LogP (Chemaxon):6.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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