Chemical ID: 4533805

COc1cc(cc(c1)OC)C(=O)Oc2ccc(cc2)c3ccccc3
Chemical ID:
4533805
Name [?]:
(4-phenylphenyl) 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Oc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C21H18O4/c1-23-19-12-17(13-20(14-19)24-2)21(22)25-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,23,22,24,21,25,16,18,15,19,4,6,8,20,17,5,14,3,7,11,12,2,9,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(19,20)(23,24)/rA:25nCOCCCCCCOCCOOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.43196
Area:555.873
Solvation:-4.46487
Coulombic:-35.8342
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:334.365
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.29
LogP (Chemaxon):4.45

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Descriptor Annotations

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