2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane

C165H259F9O22 — CID 159606490

About 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane

2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane (PubChem CID 159606490) has the molecular formula C165H259F9O22 and a molecular weight of 2765.85 g/mol. Its IUPAC name is 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane.

Molecular Properties

• Compound Name: 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane
• PubChem CID: 159606490
• Molecular Formula: C165H259F9O22
• Molecular Weight: 2765.85 g/mol
• Exact Mass: 2763.90
• IUPAC Name: 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane
• SMILES: C.C.C.C=C1CCC(O[C@@H](CC(C)C)c2cc(F)ccc2OC)CC1.CC(C)C[C@H](OC(C)C)c1cc(F)ccc1OCCO.CCO[C@@H](CC(C)C)c1cc(F)ccc1OC.COc1ccc(F)cc1[C@H](CC(C)C)OC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OC1CCCCC1.COc1ccc(F)cc1[C@H](CC(C)C)OCC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OCC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OCC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OCCO.COc1ccccc1[C@H](CC(C)C)OC1CCCCC1
• InChI: InChI=1S/C19H27FO2.C18H27FO2.C18H28O2.C16H25FO3.3C16H25FO2.C15H23FO2.C14H21FO3.C14H21FO2.3CH4/c1-13(2)11-19(22-16-8-5-14(3)6-9-16)17-12-15(20)7-10-18(17)21-4;1-13(2)11-18(21-15-7-5-4-6-8-15)16-12-14(19)9-10-17(16)20-3;1-14(2)13-18(20-15-9-5-4-6-10-15)16-11-7-8-12-17(16)19-3;1-11(2)9-16(20-12(3)4)14-10-13(17)5-6-15(14)19-8-7-18;3*1-11(2)8-16(19-10-12(3)4)14-9-13(17)6-7-15(14)18-5;1-10(2)8-15(18-11(3)4)13-9-12(16)6-7-14(13)17-5;1-10(2)8-14(18-7-6-16)12-9-11(15)4-5-13(12)17-3;1-5-17-14(8-10(2)3)12-9-11(15)6-7-13(12)16-4;;;/h7,10,12-13,16,19H,3,5-6,8-9,11H2,1-2,4H3;9-10,12-13,15,18H,4-8,11H2,1-3H3;7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3;5-6,10-12,16,18H,7-9H2,1-4H3;3*6-7,9,11-12,16H,8,10H2,1-5H3;6-7,9-11,15H,8H2,1-5H3;4-5,9-10,14,16H,6-8H2,1-3H3;6-7,9-10,14H,5,8H2,1-4H3;3*1H4/t19-;2*18-;4*16-;15-;2*14-;;;/m0000000000.../s1
• InChIKey: MMDMEJSOKQOAEY-SJVKSFBXSA-N
• XLogP: 46.47
• TPSA: 225.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 66
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2765.85
LogP ≤ 5	46.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane?

The IUPAC name of 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane (CID 159606490) is 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane.

What is the SMILES notation for 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane?

The canonical SMILES for 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane is C.C.C.C=C1CCC(O[C@@H](CC(C)C)c2cc(F)ccc2OC)CC1.CC(C)C[C@H](OC(C)C)c1cc(F)ccc1OCCO.CCO[C@@H](CC(C)C)c1cc(F)ccc1OC.COc1ccc(F)cc1[C@H](CC(C)C)OC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OC1CCCCC1.COc1ccc(F)cc1[C@H](CC(C)C)OCC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OCC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OCC(C)C.COc1ccc(F)cc1[C@H](CC(C)C)OCCO.COc1ccccc1[C@H](CC(C)C)OC1CCCCC1.

What is the InChIKey of 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane?

The InChIKey is MMDMEJSOKQOAEY-SJVKSFBXSA-N. The full InChI is InChI=1S/C19H27FO2.C18H27FO2.C18H28O2.C16H25FO3.3C16H25FO2.C15H23FO2.C14H21FO3.C14H21FO2.3CH4/c1-13(2)11-19(22-16-8-5-14(3)6-9-16)17-12-15(20)7-10-18(17)21-4;1-13(2)11-18(21-15-7-5-4-6-8-15)16-12-14(19)9-10-17(16)20-3;1-14(2)13-18(20-15-9-5-4-6-10-15)16-11-7-8-12-17(16)19-3;1-11(2)9-16(20-12(3)4)14-10-13(17)5-6-15(14)19-8-7-18;3*1-11(2)8-16(19-10-12(3)4)14-9-13(17)6-7-15(14)18-5;1-10(2)8-15(18-11(3)4)13-9-12(16)6-7-14(13)17-5;1-10(2)8-14(18-7-6-16)12-9-11(15)4-5-13(12)17-3;1-5-17-14(8-10(2)3)12-9-11(15)6-7-13(12)16-4;;;/h7,10,12-13,16,19H,3,5-6,8-9,11H2,1-2,4H3;9-10,12-13,15,18H,4-8,11H2,1-3H3;7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3;5-6,10-12,16,18H,7-9H2,1-4H3;3*6-7,9,11-12,16H,8,10H2,1-5H3;6-7,9-11,15H,8H2,1-5H3;4-5,9-10,14,16H,6-8H2,1-3H3;6-7,9-10,14H,5,8H2,1-4H3;3*1H4/t19-;2*18-;4*16-;15-;2*14-;;;/m0000000000.../s1.

What are the key properties of 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane?

2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane has a molecular weight of 2765.85 g/mol, XLogP of 46.47, 66 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane is sourced from PubChem (CID 159606490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).