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Chemical ID: 7114054
Chemical ID:
7114054
Name [?]:
[4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methanol
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2Cl)F)CO
InChi [?]:
InChI=1/C15H14ClFO3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(17)7-13(11)16/h2-7,18H,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,12,13,7,4,15,19,10,5,11,14,16,8,3,17,18,20,2,9/rA:20nCOCCCCCCOCCCCCCCClFCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClFO3 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20741 |
Area: | 482.074 |
Solvation: | -5.84443 |
Coulombic: | -36.1595 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.721 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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