Chemical ID: 4253979

Cc1ccc(cc1)COc2c(cccc2OC)C=O
Chemical ID:
4253979
Name [?]:
3-methoxy-2-(p-tolylmethoxy)benzaldehyde
SMILES [?]:
Cc1ccc(cc1)COc2c(cccc2OC)C=O
InChi [?]:
InChI=1/C16H16O3/c1-12-6-8-13(9-7-12)11-19-16-14(10-17)4-3-5-15(16)18-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,13,12,14,3,7,4,6,18,8,2,5,11,15,10,19,16,9/E:(6,7)(8,9)/rA:19nCCCCCCCCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s11;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.97106
Area:456.152
Solvation:-4.43274
Coulombic:-24.3282
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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Descriptor Annotations

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