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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol

C139H215NO17 — CID 159118308

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol (PubChem CID 159118308) has the molecular formula C139H215NO17 and a molecular weight of 2172.24 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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol.

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol
• PubChem CID: 159118308
• Molecular Formula: C139H215NO17
• Molecular Weight: 2172.24 g/mol
• Exact Mass: 2170.60
• 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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol
• SMILES: CCCC(O)c1cccc(OCC(O)(CC)CC)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.C16H26O3.C16H26O2.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;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;1-3-4-8-14-9-7-10-15(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;7,9-11,15,17-18H,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: KFJAHRIUJXQXNK-UHFFFAOYSA-N
• XLogP: 34.61
• TPSA: 234.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 74
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.24
LogP ≤ 5	34.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol?

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol (CID 159118308) 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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol.

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol?

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol is CCCC(O)c1cccc(OCC(O)(CC)CC)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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol?

The InChIKey is KFJAHRIUJXQXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C16H26O3.C16H26O2.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;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;1-3-4-8-14-9-7-10-15(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;7,9-11,15,17-18H,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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol?

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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol has a molecular weight of 2172.24 g/mol, XLogP of 34.61, 74 rotatable bonds, 5 hydrogen bond donors, and 17 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;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 159118308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).