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Chemical ID: 6663086
Chemical ID:
6663086
Name [?]:
tris(3-methoxyphenyl)methanol
SMILES [?]:
COc1cccc(c1)C(c2cccc(c2)OC)(c3cccc(c3)OC)O
InChi [?]:
InChI=1/C22H22O4/c1-24-19-10-4-7-16(13-19)22(23,17-8-5-11-20(14-17)25-2)18-9-6-12-21(15-18)26-3/h4-15,23H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,25,5,12,20,6,11,19,4,13,21,8,15,23,7,10,18,3,14,22,9,26,2,16,24/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)(13,14,15)(16,17,18)(19,20,21)(24,25,26)/rA:26nCOCCCCCCCCCCCCCOCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s9;s18;d19;s20;d21;d18s22;s22;s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2017 |
Area: | 556.845 |
Solvation: | -5.71943 |
Coulombic: | -42.3847 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 350.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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