Chemical ID: 7114054

COc1cc(ccc1OCc2ccc(cc2Cl)F)CO
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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Descriptor Annotations

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