Chemical ID: 4609521

Cc1cc(c(cc1Cl)C(C)C)OCc2cc(ccc2OC)C=O
Chemical ID:
4609521
Name [?]:
3-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]-4-methoxy-benzaldehyde
SMILES [?]:
Cc1cc(c(cc1Cl)C(C)C)OCc2cc(ccc2OC)C=O
InChi [?]:
InChI=1/C19H21ClO3/c1-12(2)16-9-17(20)13(3)7-19(16)23-11-15-8-14(10-21)5-6-18(15)22-4/h5-10,12H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:10,11,1,21,17,18,3,15,6,22,13,9,2,16,14,5,7,19,4,8,23,20,12/E:(1,2)/rA:23nCCCCCCCClCCCOCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s9;s4;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21ClO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2097
Area:556.287
Solvation:-3.69743
Coulombic:-24.886
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.821
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.3
LogP (Chemaxon):5.17

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Descriptor Annotations

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