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Chemical ID: 7114131
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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