Chemical ID: 3994791

CCOc1cc(ccc1OCCOc2ccccc2)C=CC(=O)O
Chemical ID:
3994791
Name [?]:
3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoic acid
SMILES [?]:
CCOc1cc(ccc1OCCOc2ccccc2)C=CC(=O)O
InChi [?]:
InChI=1/C19H20O5/c1-2-22-18-14-15(9-11-19(20)21)8-10-17(18)24-13-12-23-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,19,7,20,8,21,12,11,5,6,14,9,4,22,23,24,3,13,10/E:(4,5)(6,7)(20,21)/rA:24nCCOCCCCCCOCCOCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s6;w20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.59801
Area:558.008
Solvation:-7.35218
Coulombic:-49.2712
Bond Count [?]
All:25
Single:17
Double:8
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:328.359
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.49
LogP (Chemaxon):3.61

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