Chemical ID: 4254038

CCOc1cc(ccc1OCc2ccc(cc2)C)C=O
Chemical ID:
4254038
Name [?]:
3-ethoxy-4-(p-tolylmethoxy)benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)C)C=O
InChi [?]:
InChI=1/C17H18O3/c1-3-19-17-10-15(11-18)8-9-16(17)20-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,14,16,13,17,7,8,5,19,11,15,12,6,9,4,20,3,10/E:(4,5)(6,7)/rA:20nCCOCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.57387
Area:494.399
Solvation:-5.78609
Coulombic:-22.5012
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.323
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.8

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Descriptor Annotations

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