Chemical ID: 4325881

Cc1ccc(cc1)OCCOc2c(cc(cc2Br)C=O)OC
Chemical ID:
4325881
Name [?]:
3-bromo-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzaldehyde
SMILES [?]:
Cc1ccc(cc1)OCCOc2c(cc(cc2Br)C=O)OC
InChi [?]:
InChI=1/C17H17BrO4/c1-12-3-5-14(6-4-12)21-7-8-22-17-15(18)9-13(11-19)10-16(17)20-2/h3-6,9-11H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,3,7,4,6,9,10,16,14,19,2,15,5,17,13,12,18,20,21,8,11/E:(3,4)(5,6)/rA:22nCCCCCCCOCCOCCCCCCBrCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;d19;s13;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.25138
Area:527.344
Solvation:-6.93222
Coulombic:-29.0065
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.218
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.11
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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