Chemical ID: 4684321

CCCCOc1cccc(c1C=O)OCc2ccccc2
Chemical ID:
4684321
Name [?]:
2-benzyloxy-6-butoxy-benzaldehyde
SMILES [?]:
CCCCOc1cccc(c1C=O)OCc2ccccc2
InChi [?]:
InChI=1/C18H20O3/c1-2-3-12-20-17-10-7-11-18(16(17)13-19)21-14-15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,19,18,20,8,17,21,7,9,4,12,15,16,11,6,10,13,5,14/E:(5,6)(8,9)/rA:21nCCCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s10;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.91831
Area:516.405
Solvation:-4.9918
Coulombic:-23.7589
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:284.35
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):4.2

Name Annotations

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Descriptor Annotations

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