Chemical ID: 4494512

COc1cccc(c1)C(=O)OCc2cccc(c2)C(=O)Oc3ccccc3
Chemical ID:
4494512
Name [?]:
(3-phenoxycarbonylphenyl)methyl 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)OCc2cccc(c2)C(=O)Oc3ccccc3
InChi [?]:
InChI=1/C22H18O5/c1-25-20-12-6-9-18(14-20)21(23)26-15-16-7-5-8-17(13-16)22(24)27-19-10-3-2-4-11-19/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,5,14,16,6,23,27,4,18,8,12,13,17,7,22,3,9,19,10,20,2,11,21/E:(3,4)(10,11)/rA:27nCOCCCCCCCOOCCCCCCCCOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3373
Area:610.531
Solvation:-3.92599
Coulombic:-49.8678
Bond Count [?]
All:29
Single:18
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.375
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.08
LogP (Chemaxon):4.35

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Descriptor Annotations

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