Chemical ID: 5233535

CC(C)(C)CC(C)(C)c1ccc(cc1)OCc2cccc(c2)F
Chemical ID:
5233535
Name [?]:
4-[4-[(3-fluorophenyl)methoxy]phenyl]-2,2,4-trimethyl-pentane
SMILES [?]:
CC(C)(C)CC(C)(C)c1ccc(cc1)OCc2cccc(c2)F
InChi [?]:
InChI=1/C21H27FO/c1-20(2,3)15-21(4,5)17-9-11-19(12-10-17)23-14-16-7-6-8-18(22)13-16/h6-13H,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,19,18,20,10,14,11,13,22,16,5,17,9,21,12,2,6,23,15/E:(1,2,3)(4,5)(9,10)(11,12)/rA:23nCCCCCCCCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27FO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.275
Area:527.52
Solvation:-2.91305
Coulombic:-15.5554
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.437
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.88
LogP (Chemaxon):6.89

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Descriptor Annotations

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