Chemical ID: 6663086

COc1cccc(c1)C(c2cccc(c2)OC)(c3cccc(c3)OC)O
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

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Descriptor Annotations

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