1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol

C176H269F2N3O16 — CID 159789228

About 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol

1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol (PubChem CID 159789228) has the molecular formula C176H269F2N3O16 and a molecular weight of 2721.09 g/mol. Its IUPAC name is 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol.

Molecular Properties

• Compound Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
• PubChem CID: 159789228
• Molecular Formula: C176H269F2N3O16
• Molecular Weight: 2721.09 g/mol
• Exact Mass: 2719.03
• IUPAC Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
• SMILES: CC(=O)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.CCC(=O)Cc1cccc(OCC2CCCCC2)c1.CCC(F)Cc1cccc(OCC2CCCCC2)c1.CCCC(F)c1cccc(OCC2CCCCC2)c1.CCCC(OC)c1cccc(OCC2CCCCC2)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CN(C)CCC(O)c1cccc(OCC2CCCCC2)c1.[H]/N=C(\C)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.[H]/N=C(\C)CCc1cccc(OCC2CCCCC2)c1
• InChI: InChI=1S/C19H29NO2.C19H28O3.C18H29NO2.C18H28O2.C18H30O.2C17H25FO.C17H25NO.C17H24O2.C16H26O/c2*1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16;1-19(2)12-11-18(20)16-9-6-10-17(13-16)21-14-15-7-4-3-5-8-15;1-3-8-18(19-2)16-11-7-12-17(13-16)20-14-15-9-5-4-6-10-15;1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3;1-2-16(18)11-15-9-6-10-17(12-15)19-13-14-7-4-3-5-8-14;1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;1-14(18)10-11-15-8-5-9-17(12-15)19-13-16-6-3-2-4-7-16;1-2-16(18)11-15-9-6-10-17(12-15)19-13-14-7-4-3-5-8-14;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3/h6,10-11,13,16,19-21H,2-5,7-9,12,14H2,1H3;6,10-11,13,16,19,21H,2-5,7-9,12,14H2,1H3;6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3;7,11-13,15,18H,3-6,8-10,14H2,1-2H3;8,12-14,17H,4-7,9-11,15H2,1-3H3;6,9-10,12,14,16H,2-5,7-8,11,13H2,1H3;6,10-12,14,17H,2-5,7-9,13H2,1H3;5,8-9,12,16,18H,2-4,6-7,10-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;8,10-12,14H,4-7,9,13H2,1-3H3/b20-15+;;;;;;;18-14+;;/t2*19-;;;;;;;;/m11......../s1
• InChIKey: NIIOMSAUXACQJX-GBOAOTJESA-N
• XLogP: 47.74
• TPSA: 247.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 72
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2721.09
LogP ≤ 5	47.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?

The IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol (CID 159789228) is 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol.

What is the SMILES notation for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?

The canonical SMILES for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol is CC(=O)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.CCC(=O)Cc1cccc(OCC2CCCCC2)c1.CCC(F)Cc1cccc(OCC2CCCCC2)c1.CCCC(F)c1cccc(OCC2CCCCC2)c1.CCCC(OC)c1cccc(OCC2CCCCC2)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CN(C)CCC(O)c1cccc(OCC2CCCCC2)c1.[H]/N=C(\C)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.[H]/N=C(\C)CCc1cccc(OCC2CCCCC2)c1.

What is the InChIKey of 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?

The InChIKey is NIIOMSAUXACQJX-GBOAOTJESA-N. The full InChI is InChI=1S/C19H29NO2.C19H28O3.C18H29NO2.C18H28O2.C18H30O.2C17H25FO.C17H25NO.C17H24O2.C16H26O/c2*1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16;1-19(2)12-11-18(20)16-9-6-10-17(13-16)21-14-15-7-4-3-5-8-15;1-3-8-18(19-2)16-11-7-12-17(13-16)20-14-15-9-5-4-6-10-15;1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3;1-2-16(18)11-15-9-6-10-17(12-15)19-13-14-7-4-3-5-8-14;1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;1-14(18)10-11-15-8-5-9-17(12-15)19-13-16-6-3-2-4-7-16;1-2-16(18)11-15-9-6-10-17(12-15)19-13-14-7-4-3-5-8-14;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3/h6,10-11,13,16,19-21H,2-5,7-9,12,14H2,1H3;6,10-11,13,16,19,21H,2-5,7-9,12,14H2,1H3;6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3;7,11-13,15,18H,3-6,8-10,14H2,1-2H3;8,12-14,17H,4-7,9-11,15H2,1-3H3;6,9-10,12,14,16H,2-5,7-8,11,13H2,1H3;6,10-12,14,17H,2-5,7-9,13H2,1H3;5,8-9,12,16,18H,2-4,6-7,10-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;8,10-12,14H,4-7,9,13H2,1-3H3/b20-15+;;;;;;;18-14+;;/t2*19-;;;;;;;;/m11......../s1.

What are the key properties of 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?

1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol has a molecular weight of 2721.09 g/mol, XLogP of 47.74, 72 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol is sourced from PubChem (CID 159789228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).