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Chemical ID: 4143589
Chemical ID:
4143589
Name [?]:
1-[(4-chlorophenyl)methoxy]-4-methyl-2-tert-butyl-benzene
SMILES [?]:
Cc1ccc(c(c1)C(C)(C)C)OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H21ClO/c1-13-5-10-17(16(11-13)18(2,3)4)20-12-14-6-8-15(19)9-7-14/h5-11H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,10,11,3,15,19,16,18,4,7,13,2,14,17,6,5,8,20,12/E:(2,3,4)(6,7)(8,9)/rA:20nCCCCCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s8;s5;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5798 |
Area: | 496.842 |
Solvation: | -1.84124 |
Coulombic: | -11.5697 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.811 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.31 |
LogP (Chemaxon): | 6.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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