1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol

C180H291NO22 — CID 159968964

About 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol

1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol (PubChem CID 159968964) has the molecular formula C180H291NO22 and a molecular weight of 2821.29 g/mol. Its IUPAC name is 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol.

Molecular Properties

• Compound Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol
• PubChem CID: 159968964
• Molecular Formula: C180H291NO22
• Molecular Weight: 2821.29 g/mol
• Exact Mass: 2819.17
• IUPAC Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol
• SMILES: CCCC(=O)c1cccc(OCC(O)(CCC)CCC)c1.CCCC(CCC)COc1cccc(C(O)CCC)c1.CCCC(O)c1cccc(OCC(O)(CC)CC)c1.CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CC)CC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCCC(C)C)c1.CCCCc1cccc(OCCCC(N)=O)c1.CCCCc1cccc(OCCOC)c1
• InChI: InChI=1S/C18H30O3.C18H28O3.2C18H30O2.C18H30O.C16H26O3.C16H26O2.C16H26O.C15H24O.C14H21NO2.C13H20O2/c2*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(9-5-2)14-20-17-12-7-11-16(13-17)18(19)10-6-3;1-4-7-9-16-10-8-11-17(14-16)20-15-18(19,12-5-2)13-6-3;1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3;1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3;1-4-7-9-14-10-8-11-15(12-14)18-13-16(17,5-2)6-3;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3;1-4-5-7-14-8-6-9-15(12-14)16-11-10-13(2)3;1-2-3-6-12-7-4-8-13(11-12)17-10-5-9-14(15)16;1-3-4-6-12-7-5-8-13(11-12)15-10-9-14-2/h7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;7,9-10,13,20H,4-6,8,11-12,14H2,1-3H3;7,11-13,15,18-19H,4-6,8-10,14H2,1-3H3;8,10-11,14,19H,4-7,9,12-13,15H2,1-3H3;8,12-14,17H,4-7,9-11,15H2,1-3H3;7,9-11,15,17-18H,4-6,8,12H2,1-3H3;8,10-12,17H,4-7,9,13H2,1-3H3;8,10-12,14H,4-7,9,13H2,1-3H3;6,8-9,12-13H,4-5,7,10-11H2,1-3H3;4,7-8,11H,2-3,5-6,9-10H2,1H3,(H2,15,16);5,7-8,11H,3-4,6,9-10H2,1-2H3
• InChIKey: OEHFANHLFMSLGQ-UHFFFAOYSA-N
• XLogP: 46.52
• TPSA: 332.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 96
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2821.29
LogP ≤ 5	46.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

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-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol?

The IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol (CID 159968964) is 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol.

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

The canonical SMILES for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol is CCCC(=O)c1cccc(OCC(O)(CCC)CCC)c1.CCCC(CCC)COc1cccc(C(O)CCC)c1.CCCC(O)c1cccc(OCC(O)(CC)CC)c1.CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CC)CC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCCC(C)C)c1.CCCCc1cccc(OCCCC(N)=O)c1.CCCCc1cccc(OCCOC)c1.

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

The InChIKey is OEHFANHLFMSLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3.C18H28O3.2C18H30O2.C18H30O.C16H26O3.C16H26O2.C16H26O.C15H24O.C14H21NO2.C13H20O2/c2*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(9-5-2)14-20-17-12-7-11-16(13-17)18(19)10-6-3;1-4-7-9-16-10-8-11-17(14-16)20-15-18(19,12-5-2)13-6-3;1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3;1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3;1-4-7-9-14-10-8-11-15(12-14)18-13-16(17,5-2)6-3;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3;1-4-5-7-14-8-6-9-15(12-14)16-11-10-13(2)3;1-2-3-6-12-7-4-8-13(11-12)17-10-5-9-14(15)16;1-3-4-6-12-7-5-8-13(11-12)15-10-9-14-2/h7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;7,9-10,13,20H,4-6,8,11-12,14H2,1-3H3;7,11-13,15,18-19H,4-6,8-10,14H2,1-3H3;8,10-11,14,19H,4-7,9,12-13,15H2,1-3H3;8,12-14,17H,4-7,9-11,15H2,1-3H3;7,9-11,15,17-18H,4-6,8,12H2,1-3H3;8,10-12,17H,4-7,9,13H2,1-3H3;8,10-12,14H,4-7,9,13H2,1-3H3;6,8-9,12-13H,4-5,7,10-11H2,1-3H3;4,7-8,11H,2-3,5-6,9-10H2,1H3,(H2,15,16);5,7-8,11H,3-4,6,9-10H2,1-2H3.

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

1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol has a molecular weight of 2821.29 g/mol, XLogP of 46.52, 96 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-(3-butylphenoxy)butanamide;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(2-propylpentoxy)benzene;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-[3-(2-propylpentoxy)phenyl]butan-1-ol is sourced from PubChem (CID 159968964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).