1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one

C191H299NO25 — CID 159889749

About 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one

1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one (PubChem CID 159889749) has the molecular formula C191H299NO25 and a molecular weight of 3009.47 g/mol. Its IUPAC name is 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one.

Molecular Properties

• Compound Name: 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one
• PubChem CID: 159889749
• Molecular Formula: C191H299NO25
• Molecular Weight: 3009.47 g/mol
• Exact Mass: 3007.22
• IUPAC Name: 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one
• SMILES: CCCC(=O)c1cccc(OCC(O)(CCC)CCC)c1.CCCC(O)c1cccc(OCC(CC)CC)c1.CCCC(O)c1cccc(OCC(O)(CC)CC)c1.CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCCOc1cccc(CCCC)c1.CCCCc1cccc(OCC(O)(CC)CC)c1.CCCCc1cccc(OCCC(C)C)c1.CCCCc1cccc(OCCCC(N)=O)c1.CCCCc1cccc(OCCCCO)c1.CCCCc1cccc(OCCCCOC)c1.CCCCc1cccc(OCCCCOCc2ccccc2)c1.CCCCc1cccc(OCCOC)c1
• InChI: InChI=1S/C21H28O2.C18H30O3.C18H28O3.C16H26O3.2C16H26O2.C15H24O2.2C15H24O.C14H21NO2.C14H22O2.C13H20O2/c1-2-3-10-19-13-9-14-21(17-19)23-16-8-7-15-22-18-20-11-5-4-6-12-20;2*1-4-8-17(19)15-9-7-10-16(13-15)21-14-18(20,11-5-2)12-6-3;1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3;1-4-8-16(17)14-9-7-10-15(11-14)18-12-13(5-2)6-3;1-4-7-9-14-10-8-11-15(12-14)18-13-16(17,5-2)6-3;1-3-4-8-14-9-7-10-15(13-14)17-12-6-5-11-16-2;1-4-5-7-14-8-6-9-15(12-14)16-11-10-13(2)3;1-3-5-7-12-16-15-11-8-10-14(13-15)9-6-4-2;1-2-3-6-12-7-4-8-13(11-12)17-10-5-9-14(15)16;1-2-3-7-13-8-6-9-14(12-13)16-11-5-4-10-15;1-3-4-6-12-7-5-8-13(11-12)15-10-9-14-2/h4-6,9,11-14,17H,2-3,7-8,10,15-16,18H2,1H3;7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;7,9-10,13,20H,4-6,8,11-12,14H2,1-3H3;7,9-11,15,17-18H,4-6,8,12H2,1-3H3;7,9-11,13,16-17H,4-6,8,12H2,1-3H3;8,10-12,17H,4-7,9,13H2,1-3H3;7,9-10,13H,3-6,8,11-12H2,1-2H3;6,8-9,12-13H,4-5,7,10-11H2,1-3H3;8,10-11,13H,3-7,9,12H2,1-2H3;4,7-8,11H,2-3,5-6,9-10H2,1H3,(H2,15,16);6,8-9,12,15H,2-5,7,10-11H2,1H3;5,7-8,11H,3-4,6,9-10H2,1-2H3
• InChIKey: NUPCNGWPJCSWMT-UHFFFAOYSA-N
• XLogP: 47.55
• TPSA: 360.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 102
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3009.47
LogP ≤ 5	47.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one?

The IUPAC name of 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one (CID 159889749) is 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one.

What is the SMILES notation for 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one?

The canonical SMILES for 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one is CCCC(=O)c1cccc(OCC(O)(CCC)CCC)c1.CCCC(O)c1cccc(OCC(CC)CC)c1.CCCC(O)c1cccc(OCC(O)(CC)CC)c1.CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCCOc1cccc(CCCC)c1.CCCCc1cccc(OCC(O)(CC)CC)c1.CCCCc1cccc(OCCC(C)C)c1.CCCCc1cccc(OCCCC(N)=O)c1.CCCCc1cccc(OCCCCO)c1.CCCCc1cccc(OCCCCOC)c1.CCCCc1cccc(OCCCCOCc2ccccc2)c1.CCCCc1cccc(OCCOC)c1.

What is the InChIKey of 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one?

The InChIKey is NUPCNGWPJCSWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C18H30O3.C18H28O3.C16H26O3.2C16H26O2.C15H24O2.2C15H24O.C14H21NO2.C14H22O2.C13H20O2/c1-2-3-10-19-13-9-14-21(17-19)23-16-8-7-15-22-18-20-11-5-4-6-12-20;2*1-4-8-17(19)15-9-7-10-16(13-15)21-14-18(20,11-5-2)12-6-3;1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3;1-4-8-16(17)14-9-7-10-15(11-14)18-12-13(5-2)6-3;1-4-7-9-14-10-8-11-15(12-14)18-13-16(17,5-2)6-3;1-3-4-8-14-9-7-10-15(13-14)17-12-6-5-11-16-2;1-4-5-7-14-8-6-9-15(12-14)16-11-10-13(2)3;1-3-5-7-12-16-15-11-8-10-14(13-15)9-6-4-2;1-2-3-6-12-7-4-8-13(11-12)17-10-5-9-14(15)16;1-2-3-7-13-8-6-9-14(12-13)16-11-5-4-10-15;1-3-4-6-12-7-5-8-13(11-12)15-10-9-14-2/h4-6,9,11-14,17H,2-3,7-8,10,15-16,18H2,1H3;7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;7,9-10,13,20H,4-6,8,11-12,14H2,1-3H3;7,9-11,15,17-18H,4-6,8,12H2,1-3H3;7,9-11,13,16-17H,4-6,8,12H2,1-3H3;8,10-12,17H,4-7,9,13H2,1-3H3;7,9-10,13H,3-6,8,11-12H2,1-2H3;6,8-9,12-13H,4-5,7,10-11H2,1-3H3;8,10-11,13H,3-7,9,12H2,1-2H3;4,7-8,11H,2-3,5-6,9-10H2,1H3,(H2,15,16);6,8-9,12,15H,2-5,7,10-11H2,1H3;5,7-8,11H,3-4,6,9-10H2,1-2H3.

What are the key properties of 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one?

1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one has a molecular weight of 3009.47 g/mol, XLogP of 47.55, 102 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one is sourced from PubChem (CID 159889749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).