Chemical ID: 4270941

COc1ccc(cc1)OCc2ccc(cc2)C(=O)OC
Chemical ID:
4270941
Name [?]:
methyl 4-[(4-methoxyphenoxy)methyl]benzoate
SMILES [?]:
COc1ccc(cc1)OCc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H16O4/c1-18-14-7-9-15(10-8-14)20-11-12-3-5-13(6-4-12)16(17)19-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,12,16,13,15,4,8,5,7,10,11,14,3,6,17,18,2,19,9/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.83857
Area:487.611
Solvation:-4.3517
Coulombic:-35.8012
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.5
LogP (Chemaxon):2.87

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Descriptor Annotations

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