Chemical ID: 4254022

Cc1ccc(cc1)COc2cc(ccc2OC)C=O
Chemical ID:
4254022
Name [?]:
4-methoxy-3-(p-tolylmethoxy)benzaldehyde
SMILES [?]:
Cc1ccc(cc1)COc2cc(ccc2OC)C=O
InChi [?]:
InChI=1/C16H16O3/c1-12-3-5-13(6-4-12)11-19-16-9-14(10-17)7-8-15(16)18-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,13,14,11,18,8,2,5,12,15,10,19,16,9/E:(3,4)(5,6)/rA:19nCCCCCCCCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s12;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.79319
Area:467.85
Solvation:-5.90307
Coulombic:-22.2061
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.296
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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