4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone

C148H187Cl3F5N7O11 — CID 160951955

IUPAC4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)(C)C)cc1C(F)(F)F.CC(C)(C)c1ccc(OCc2cccc(Cl)c2)cc1.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)cc1.COc1cc(C(C)(C)C)ccc1C(C)=O.COc1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C22H35N3O2.C17H18ClFO.C17H19ClO.C17H19FO.C17H26N2O.C16H18ClNO.C16H19NO.C13H15F3O.C13H18O2/c1-22(2,3)19-16-17(6-7-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;2*1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13;1-13-12-14(17(2,3)4)6-7-15(13)16(20)19-10-8-18(5)9-11-19;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)13-7-9-15(10-8-13)18-12-14-6-4-5-11-17-14;1-8(17)10-6-5-9(12(2,3)4)7-11(10)13(14,15)16;1-9(14)11-7-6-10(13(2,3)4)8-12(11)15-5/h6-7,16,18H,8-15H2,1-5H3;4-10H,11H2,1-3H3;2*4-11H,12H2,1-3H3;6-7,12H,8-11H2,1-5H3;4-10H,11H2,1-3H3;4-11H,12H2,1-3H3;5-7H,1-4H3;6-8H,1-5H3
InChIKeySVWKWLJGMBATSY-UHFFFAOYSA-N
MW2441.51 g/mol
LogP36.77
Rot. Bonds22

About 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone

4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 160951955) has the molecular formula C148H187Cl3F5N7O11 and a molecular weight of 2441.51 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone
PubChem CID160951955
Molecular FormulaC148H187Cl3F5N7O11
Molecular Weight2441.51 g/mol
Exact Mass2438.33
IUPAC Name4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)(C)C)cc1C(F)(F)F.CC(C)(C)c1ccc(OCc2cccc(Cl)c2)cc1.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)cc1.COc1cc(C(C)(C)C)ccc1C(C)=O.COc1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C22H35N3O2.C17H18ClFO.C17H19ClO.C17H19FO.C17H26N2O.C16H18ClNO.C16H19NO.C13H15F3O.C13H18O2/c1-22(2,3)19-16-17(6-7-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;2*1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13;1-13-12-14(17(2,3)4)6-7-15(13)16(20)19-10-8-18(5)9-11-19;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)13-7-9-15(10-8-13)18-12-14-6-4-5-11-17-14;1-8(17)10-6-5-9(12(2,3)4)7-11(10)13(14,15)16;1-9(14)11-7-6-10(13(2,3)4)8-12(11)15-5/h6-7,16,18H,8-15H2,1-5H3;4-10H,11H2,1-3H3;2*4-11H,12H2,1-3H3;6-7,12H,8-11H2,1-5H3;4-10H,11H2,1-3H3;4-11H,12H2,1-3H3;5-7H,1-4H3;6-8H,1-5H3
InChIKeySVWKWLJGMBATSY-UHFFFAOYSA-N
XLogP36.77
TPSA174.87 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.51
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone (CID 160951955) is 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1ccc(C(C)(C)C)cc1C(F)(F)F.CC(C)(C)c1ccc(OCc2cccc(Cl)c2)cc1.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cccc(F)c2)cc1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)cc1.COc1cc(C(C)(C)C)ccc1C(C)=O.COc1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is SVWKWLJGMBATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C17H18ClFO.C17H19ClO.C17H19FO.C17H26N2O.C16H18ClNO.C16H19NO.C13H15F3O.C13H18O2/c1-22(2,3)19-16-17(6-7-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;2*1-17(2,3)14-7-9-16(10-8-14)19-12-13-5-4-6-15(18)11-13;1-13-12-14(17(2,3)4)6-7-15(13)16(20)19-10-8-18(5)9-11-19;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)13-7-9-15(10-8-13)18-12-14-6-4-5-11-17-14;1-8(17)10-6-5-9(12(2,3)4)7-11(10)13(14,15)16;1-9(14)11-7-6-10(13(2,3)4)8-12(11)15-5/h6-7,16,18H,8-15H2,1-5H3;4-10H,11H2,1-3H3;2*4-11H,12H2,1-3H3;6-7,12H,8-11H2,1-5H3;4-10H,11H2,1-3H3;4-11H,12H2,1-3H3;5-7H,1-4H3;6-8H,1-5H3.
What are the key properties of 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone?
4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2441.51 g/mol, XLogP of 36.77, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;1-tert-butyl-4-[(3-chlorophenyl)methoxy]benzene;1-tert-butyl-4-[(3-fluorophenyl)methoxy]benzene;1-(4-tert-butyl-2-methoxyphenyl)ethanone;(3-tert-butyl-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-[(4-tert-butylphenoxy)methyl]pyridine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 160951955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).