1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol

C137H220O16 — CID 161338380

About 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol

1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol (PubChem CID 161338380) has the molecular formula C137H220O16 and a molecular weight of 2123.25 g/mol. Its IUPAC name is 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol.

Molecular Properties

• Compound Name: 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol
• PubChem CID: 161338380
• Molecular Formula: C137H220O16
• Molecular Weight: 2123.25 g/mol
• Exact Mass: 2121.64
• IUPAC Name: 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol
• SMILES: CCCC(CCC)COc1cccc(C(O)CCC)c1.CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1.CCCOc1cccc(OCC2CCCCCC2)c1
• InChI: InChI=1S/C18H30O3.2C18H30O2.C18H30O.C17H26O2.C16H24O3.C16H24O2.C16H26O/c1-4-8-17(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;1-2-12-18-16-10-7-11-17(13-16)19-14-15-8-5-3-4-6-9-15;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3/h7,9-10,13,17,19-20H,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;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;6-8,12,17H,2-5,9-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;8,10-12,14H,4-7,9,13H2,1-3H3
• InChIKey: VMINSJOTCUVFEH-UHFFFAOYSA-N
• XLogP: 37.36
• TPSA: 202.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 66
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.25
LogP ≤ 5	37.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol?

The IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol (CID 161338380) is 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol.

What is the SMILES notation for 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol?

The canonical SMILES for 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol is CCCC(CCC)COc1cccc(C(O)CCC)c1.CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1.CCCOc1cccc(OCC2CCCCCC2)c1.

What is the InChIKey of 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol?

The InChIKey is VMINSJOTCUVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3.2C18H30O2.C18H30O.C17H26O2.C16H24O3.C16H24O2.C16H26O/c1-4-8-17(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;1-2-12-18-16-10-7-11-17(13-16)19-14-15-8-5-3-4-6-9-15;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3/h7,9-10,13,17,19-20H,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;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;6-8,12,17H,2-5,9-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;8,10-12,14H,4-7,9,13H2,1-3H3.

What are the key properties of 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol?

1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol has a molecular weight of 2123.25 g/mol, XLogP of 37.36, 66 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol is sourced from PubChem (CID 161338380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).