1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane

C103H158O11 — CID 157218949

IUPAC1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OCC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCOC2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C29H44O3.C21H34O2.C20H32O2.C13H20O2.2C10H14O/c1-3-21(2)25-9-11-27(12-10-25)32-28(31-14-13-30-26-7-5-4-6-8-26)29-18-22-15-23(19-29)17-24(16-22)20-29;1-5-17(4)19-11-13-20(14-12-19)23-21(16(2)3)22-15-18-9-7-6-8-10-18;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-5-10(2)12-6-8-13(9-7-12)15-11(3)14-4;2*1-3-8(2)9-4-6-10(11)7-5-9/h9-12,21-24,26,28H,3-8,13-20H2,1-2H3;11-14,16-18,21H,5-10,15H2,1-4H3;10-13,16-18H,4-9,14-15H2,1-3H3;6-11H,5H2,1-4H3;2*4-8,11H,3H2,1-2H3
InChIKeyASTGYSOSDXGRQA-UHFFFAOYSA-N
MW1572.39 g/mol
LogP28.94
Rot. Bonds35

About 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane (PubChem CID 157218949) has the molecular formula C103H158O11 and a molecular weight of 1572.39 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane
PubChem CID157218949
Molecular FormulaC103H158O11
Molecular Weight1572.39 g/mol
Exact Mass1571.18
IUPAC Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OCC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCOC2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C29H44O3.C21H34O2.C20H32O2.C13H20O2.2C10H14O/c1-3-21(2)25-9-11-27(12-10-25)32-28(31-14-13-30-26-7-5-4-6-8-26)29-18-22-15-23(19-29)17-24(16-22)20-29;1-5-17(4)19-11-13-20(14-12-19)23-21(16(2)3)22-15-18-9-7-6-8-10-18;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-5-10(2)12-6-8-13(9-7-12)15-11(3)14-4;2*1-3-8(2)9-4-6-10(11)7-5-9/h9-12,21-24,26,28H,3-8,13-20H2,1-2H3;11-14,16-18,21H,5-10,15H2,1-4H3;10-13,16-18H,4-9,14-15H2,1-3H3;6-11H,5H2,1-4H3;2*4-8,11H,3H2,1-2H3
InChIKeyASTGYSOSDXGRQA-UHFFFAOYSA-N
XLogP28.94
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001572.39
LogP ≤ 528.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane with MolForge

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Related Compounds

4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane
CID 159180214
1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane
CID 159455343
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;1-butan-2-yl-4-phenylmethoxybenzene
CID 157125767
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-[(4-butan-2-ylphenoxy)-(2-cyclohex-3-en-1-ylethoxy)methyl]adamantane
CID 118649886
1-[2-cyclohexylethoxy-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]methyl]adamantane
CID 123755292
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 123756996
1-[(4-butan-2-ylphenoxy)-ethoxymethyl]adamantane
CID 89398620
1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene
CID 159091065
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-butan-2-yl-4-[cyclohexylmethoxy-(1-methylcyclohexyl)methoxy]benzene;1-butan-2-yl-4-(2,2-dimethyl-1-phenylmethoxybutoxy)benzene;tetrakis(4-butan-2-ylphenol);1-[2-[1-(4-butan-2-ylphenoxy)-2,2-dimethylbutoxy]ethyl]naphthalene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane
CID 158266175
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane?
The IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane (CID 157218949) is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane.
What is the SMILES notation for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane?
The canonical SMILES for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OCC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCOC2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane?
The InChIKey is ASTGYSOSDXGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O3.C21H34O2.C20H32O2.C13H20O2.2C10H14O/c1-3-21(2)25-9-11-27(12-10-25)32-28(31-14-13-30-26-7-5-4-6-8-26)29-18-22-15-23(19-29)17-24(16-22)20-29;1-5-17(4)19-11-13-20(14-12-19)23-21(16(2)3)22-15-18-9-7-6-8-10-18;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-5-10(2)12-6-8-13(9-7-12)15-11(3)14-4;2*1-3-8(2)9-4-6-10(11)7-5-9/h9-12,21-24,26,28H,3-8,13-20H2,1-2H3;11-14,16-18,21H,5-10,15H2,1-4H3;10-13,16-18H,4-9,14-15H2,1-3H3;6-11H,5H2,1-4H3;2*4-8,11H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane?
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane has a molecular weight of 1572.39 g/mol, XLogP of 28.94, 35 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane is sourced from PubChem (CID 157218949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).