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Chemical ID: 7154838
Chemical ID:
7154838
Name [?]:
[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methanol
SMILES [?]:
COc1cc(ccc1OCc2ccccc2Cl)CO
InChi [?]:
InChI=1/C15H15ClO3/c1-18-15-8-11(9-17)6-7-14(15)19-10-12-4-2-3-5-13(12)16/h2-8,17H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,6,7,4,18,10,5,11,16,8,3,17,19,2,9/rA:19nCOCCCCCCOCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClO3 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76363 |
Area: | 473.803 |
Solvation: | -5.08144 |
Coulombic: | -33.5099 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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