Chemical ID: 6303649

CCCc1ccc(cc1)OCc2cc(ccc2OC)C=O
Chemical ID:
6303649
Name [?]:
4-methoxy-3-[(4-propylphenoxy)methyl]benzaldehyde
SMILES [?]:
CCCc1ccc(cc1)OCc2cc(ccc2OC)C=O
InChi [?]:
InChI=1/C18H20O3/c1-3-4-14-5-8-17(9-6-14)21-13-16-11-15(12-19)7-10-18(16)20-2/h5-12H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,5,9,15,6,8,16,13,20,11,4,14,12,7,17,21,18,10/E:(5,6)(8,9)/rA:21nCCCCCCCCCOCCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s14;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.99393
Area:512.467
Solvation:-3.81774
Coulombic:-24.8086
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:284.35
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):4.25

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