1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane

C142H220O19 — CID 158164101

About 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane

1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane (PubChem CID 158164101) has the molecular formula C142H220O19 and a molecular weight of 2231.30 g/mol. Its IUPAC name is 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane.

Molecular Properties

• Compound Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane
• PubChem CID: 158164101
• Molecular Formula: C142H220O19
• Molecular Weight: 2231.30 g/mol
• Exact Mass: 2229.62
• IUPAC Name: 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane
• SMILES: C.CC(=O)CCCC(O)c1cccc(OCC2CCCCC2)c1.CCCC(=O)c1cccc(OCC2(O)CCCCC2)c1.CCCC(=O)c1cccc(OCC2(O)CCCCCC2)c1.CCCC(O)c1cccc(OCC2(O)CCCCC2)c1.CCCC(O)c1cccc(OCC2(O)CCCCCC2)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CCCCc1cccc(OCC2(O)CCCCCC2)c1
• InChI: InChI=1S/C19H28O3.C18H28O3.C18H26O3.C18H28O2.C18H30O.C17H26O3.C17H24O3.C16H26O.CH4/c1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16;2*1-2-8-17(19)15-9-7-10-16(13-15)21-14-18(20)11-5-3-4-6-12-18;1-2-3-9-16-10-8-11-17(14-16)20-15-18(19)12-6-4-5-7-13-18;1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3;2*1-2-7-16(18)14-8-6-9-15(12-14)20-13-17(19)10-4-3-5-11-17;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3;/h6,10-11,13,16,19,21H,2-5,7-9,12,14H2,1H3;7,9-10,13,17,19-20H,2-6,8,11-12,14H2,1H3;7,9-10,13,20H,2-6,8,11-12,14H2,1H3;8,10-11,14,19H,2-7,9,12-13,15H2,1H3;8,12-14,17H,4-7,9-11,15H2,1-3H3;6,8-9,12,16,18-19H,2-5,7,10-11,13H2,1H3;6,8-9,12,19H,2-5,7,10-11,13H2,1H3;8,10-12,14H,4-7,9,13H2,1-3H3;1H4
• InChIKey: FWQBTBASNXGLAN-UHFFFAOYSA-N
• XLogP: 35.49
• TPSA: 286.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 56
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.30
LogP ≤ 5	35.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane?

The IUPAC name of 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane (CID 158164101) is 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane.

What is the SMILES notation for 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane?

The canonical SMILES for 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane is C.CC(=O)CCCC(O)c1cccc(OCC2CCCCC2)c1.CCCC(=O)c1cccc(OCC2(O)CCCCC2)c1.CCCC(=O)c1cccc(OCC2(O)CCCCCC2)c1.CCCC(O)c1cccc(OCC2(O)CCCCC2)c1.CCCC(O)c1cccc(OCC2(O)CCCCCC2)c1.CCCCc1cccc(OCC(CC)CC)c1.CCCCc1cccc(OCC(CCC)CCC)c1.CCCCc1cccc(OCC2(O)CCCCCC2)c1.

What is the InChIKey of 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane?

The InChIKey is FWQBTBASNXGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3.C18H28O3.C18H26O3.C18H28O2.C18H30O.C17H26O3.C17H24O3.C16H26O.CH4/c1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16;2*1-2-8-17(19)15-9-7-10-16(13-15)21-14-18(20)11-5-3-4-6-12-18;1-2-3-9-16-10-8-11-17(14-16)20-15-18(19)12-6-4-5-7-13-18;1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3;2*1-2-7-16(18)14-8-6-9-15(12-14)20-13-17(19)10-4-3-5-11-17;1-4-7-9-15-10-8-11-16(12-15)17-13-14(5-2)6-3;/h6,10-11,13,16,19,21H,2-5,7-9,12,14H2,1H3;7,9-10,13,17,19-20H,2-6,8,11-12,14H2,1H3;7,9-10,13,20H,2-6,8,11-12,14H2,1H3;8,10-11,14,19H,2-7,9,12-13,15H2,1H3;8,12-14,17H,4-7,9-11,15H2,1-3H3;6,8-9,12,16,18-19H,2-5,7,10-11,13H2,1H3;6,8-9,12,19H,2-5,7,10-11,13H2,1H3;8,10-12,14H,4-7,9,13H2,1-3H3;1H4.

What are the key properties of 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane?

1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane has a molecular weight of 2231.30 g/mol, XLogP of 35.49, 56 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane is sourced from PubChem (CID 158164101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).