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Chemical ID: 4438906
Chemical ID:
4438906
Name [?]:
[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1cc(cc(c1)F)COc2ccc(cc2Cl)CO
InChi [?]:
InChI=1/C14H12ClFO2/c15-13-7-10(8-17)4-5-14(13)18-9-11-2-1-3-12(16)6-11/h1-7,17H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,4,14,17,8,13,3,5,15,10,16,7,18,9/rA:18nCCCCCCFCOCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClFO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.72047 |
Area: | 450.31 |
Solvation: | -4.53727 |
Coulombic: | -29.8377 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.695 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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