1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane

C150H161ClF17N3O2 — CID 159308838

IUPAC1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane
SMILESC.CC(C)C(c1ccc(F)cc1)c1c(F)cccc1F.CC(C)C(c1ccc(F)cc1)c1cc(F)cc(F)c1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cn1.CC(C)C(c1ccc(F)cc1)c1ccccn1.CC(C)C(c1ccc(F)cc1)c1ncccc1F.CCOc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.CCc1cc(C)ccc1C(c1ccc(Cl)cc1)C(C)C.CCc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.COc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H23Cl.C18H20F2O.C18H20F2.C17H18F2O.2C16H15F3.2C15H15F2N.C15H16FN.CH4/c1-5-15-12-14(4)6-11-18(15)19(13(2)3)16-7-9-17(20)10-8-16;1-4-21-17-11-15(20)9-10-16(17)18(12(2)3)13-5-7-14(19)8-6-13;1-4-13-11-16(20)9-10-17(13)18(12(2)3)14-5-7-15(19)8-6-14;1-11(2)17(12-4-6-13(18)7-5-12)15-9-8-14(19)10-16(15)20-3;1-10(2)16(11-3-5-13(17)6-4-11)12-7-14(18)9-15(19)8-12;1-10(2)15(11-6-8-12(17)9-7-11)16-13(18)4-3-5-14(16)19;1-10(2)15(11-3-5-12(16)6-4-11)14-8-7-13(17)9-18-14;1-10(2)14(11-5-7-12(16)8-6-11)15-13(17)4-3-9-18-15;1-11(2)15(14-5-3-4-10-17-14)12-6-8-13(16)9-7-12;/h6-13,19H,5H2,1-4H3;5-12,18H,4H2,1-3H3;5-12,18H,4H2,1-3H3;4-11,17H,1-3H3;3-10,16H,1-2H3;3-10,15H,1-2H3;3-10,15H,1-2H3;3-10,14H,1-2H3;3-11,15H,1-2H3;1H4
InChIKeyLCGRFSFVCYCZMG-UHFFFAOYSA-N
MW2396.38 g/mol
LogP43.95
Rot. Bonds32

About 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane

1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane (PubChem CID 159308838) has the molecular formula C150H161ClF17N3O2 and a molecular weight of 2396.38 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane
PubChem CID159308838
Molecular FormulaC150H161ClF17N3O2
Molecular Weight2396.38 g/mol
Exact Mass2394.20
IUPAC Name1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane
SMILESC.CC(C)C(c1ccc(F)cc1)c1c(F)cccc1F.CC(C)C(c1ccc(F)cc1)c1cc(F)cc(F)c1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cn1.CC(C)C(c1ccc(F)cc1)c1ccccn1.CC(C)C(c1ccc(F)cc1)c1ncccc1F.CCOc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.CCc1cc(C)ccc1C(c1ccc(Cl)cc1)C(C)C.CCc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.COc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H23Cl.C18H20F2O.C18H20F2.C17H18F2O.2C16H15F3.2C15H15F2N.C15H16FN.CH4/c1-5-15-12-14(4)6-11-18(15)19(13(2)3)16-7-9-17(20)10-8-16;1-4-21-17-11-15(20)9-10-16(17)18(12(2)3)13-5-7-14(19)8-6-13;1-4-13-11-16(20)9-10-17(13)18(12(2)3)14-5-7-15(19)8-6-14;1-11(2)17(12-4-6-13(18)7-5-12)15-9-8-14(19)10-16(15)20-3;1-10(2)16(11-3-5-13(17)6-4-11)12-7-14(18)9-15(19)8-12;1-10(2)15(11-6-8-12(17)9-7-11)16-13(18)4-3-5-14(16)19;1-10(2)15(11-3-5-12(16)6-4-11)14-8-7-13(17)9-18-14;1-10(2)14(11-5-7-12(16)8-6-11)15-13(17)4-3-9-18-15;1-11(2)15(14-5-3-4-10-17-14)12-6-8-13(16)9-7-12;/h6-13,19H,5H2,1-4H3;5-12,18H,4H2,1-3H3;5-12,18H,4H2,1-3H3;4-11,17H,1-3H3;3-10,16H,1-2H3;3-10,15H,1-2H3;3-10,15H,1-2H3;3-10,14H,1-2H3;3-11,15H,1-2H3;1H4
InChIKeyLCGRFSFVCYCZMG-UHFFFAOYSA-N
XLogP43.95
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002396.38
LogP ≤ 543.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane (CID 159308838) is 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane is C.CC(C)C(c1ccc(F)cc1)c1c(F)cccc1F.CC(C)C(c1ccc(F)cc1)c1cc(F)cc(F)c1.CC(C)C(c1ccc(F)cc1)c1ccc(F)cn1.CC(C)C(c1ccc(F)cc1)c1ccccn1.CC(C)C(c1ccc(F)cc1)c1ncccc1F.CCOc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.CCc1cc(C)ccc1C(c1ccc(Cl)cc1)C(C)C.CCc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.COc1cc(F)ccc1C(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane?
The InChIKey is LCGRFSFVCYCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl.C18H20F2O.C18H20F2.C17H18F2O.2C16H15F3.2C15H15F2N.C15H16FN.CH4/c1-5-15-12-14(4)6-11-18(15)19(13(2)3)16-7-9-17(20)10-8-16;1-4-21-17-11-15(20)9-10-16(17)18(12(2)3)13-5-7-14(19)8-6-13;1-4-13-11-16(20)9-10-17(13)18(12(2)3)14-5-7-15(19)8-6-14;1-11(2)17(12-4-6-13(18)7-5-12)15-9-8-14(19)10-16(15)20-3;1-10(2)16(11-3-5-13(17)6-4-11)12-7-14(18)9-15(19)8-12;1-10(2)15(11-6-8-12(17)9-7-11)16-13(18)4-3-5-14(16)19;1-10(2)15(11-3-5-12(16)6-4-11)14-8-7-13(17)9-18-14;1-10(2)14(11-5-7-12(16)8-6-11)15-13(17)4-3-9-18-15;1-11(2)15(14-5-3-4-10-17-14)12-6-8-13(16)9-7-12;/h6-13,19H,5H2,1-4H3;5-12,18H,4H2,1-3H3;5-12,18H,4H2,1-3H3;4-11,17H,1-3H3;3-10,16H,1-2H3;3-10,15H,1-2H3;3-10,15H,1-2H3;3-10,14H,1-2H3;3-11,15H,1-2H3;1H4.
What are the key properties of 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane?
1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane has a molecular weight of 2396.38 g/mol, XLogP of 43.95, 32 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethyl-4-methylbenzene;1,3-difluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]benzene;1,3-difluoro-5-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethoxy-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]benzene;4-fluoro-1-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzene;3-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;5-fluoro-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine;methane is sourced from PubChem (CID 159308838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).