Chemical ID: 6154573

CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3
Chemical ID:
6154573
Name [?]:
(4-benzyloxyphenyl) 3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C26H26O5/c1-3-17-29-24-15-9-20(18-25(24)28-2)10-16-26(27)31-23-13-11-22(12-14-23)30-19-21-7-5-4-6-8-21/h4-16,18H,3,17,19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,29,28,30,27,31,7,13,20,22,19,23,6,14,3,9,25,8,26,21,18,5,10,15,16,11,4,24,17/E:(5,6)(7,8)(11,12)(13,14)/rA:31nCCCOCCCCCCOCCCCOOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.0991
Area:680.583
Solvation:-6.9155
Coulombic:-43.3964
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:418.482
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.76
LogP (Chemaxon):5.7

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Descriptor Annotations

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