Chemical ID: 7114131

COc1cc(ccc1OCc2c(cccc2Cl)Cl)CO
Chemical ID:
7114131
Name [?]:
[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]methanol
SMILES [?]:
COc1cc(ccc1OCc2c(cccc2Cl)Cl)CO
InChi [?]:
InChI=1/C15H14Cl2O3/c1-19-15-7-10(8-18)5-6-14(15)20-9-11-12(16)3-2-4-13(11)17/h2-7,18H,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,6,7,4,19,10,5,11,12,16,8,3,18,17,20,2,9/E:(3,4)(12,13)(16,17)/rA:20nCOCCCCCCOCCCCCCCClClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14Cl2O3
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.89441
Area:499.691
Solvation:-5.59787
Coulombic:-32.905
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.175
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.73
LogP (Chemaxon):3.82

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Descriptor Annotations

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