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

C135H220O17 — CID 162140621

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

1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol (PubChem CID 162140621) has the molecular formula C135H220O17 and a molecular weight of 2115.23 g/mol. Its IUPAC name is 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol.

Molecular Properties

• Compound Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol
• PubChem CID: 162140621
• Molecular Formula: C135H220O17
• Molecular Weight: 2115.23 g/mol
• Exact Mass: 2113.64
• IUPAC Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[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(O)(CC)CC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCCC(C)C)c1
• InChI: InChI=1S/C18H30O3.C18H28O3.2C18H30O2.C16H26O3.C16H26O2.C16H26O.C15H24O/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;1-4-8-15(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/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;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
• InChIKey: ZJWMOEZCYYUOKN-UHFFFAOYSA-N
• XLogP: 35.17
• TPSA: 252.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 71
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.23
LogP ≤ 5	35.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol (CID 162140621) is 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol.

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

The canonical SMILES for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[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(O)(CC)CC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCCC(C)C)c1.

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

The InChIKey is ZJWMOEZCYYUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3.C18H28O3.2C18H30O2.C16H26O3.C16H26O2.C16H26O.C15H24O/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;1-4-8-15(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/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;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.

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

1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol has a molecular weight of 2115.23 g/mol, XLogP of 35.17, 71 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;3-[(3-butylphenoxy)methyl]pentan-3-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-[3-(2-propylpentoxy)phenyl]butan-1-ol is sourced from PubChem (CID 162140621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).