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

C138H196O12 — CID 158266175

IUPAC1-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
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OC)C23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OC(OCC2CCCCC2)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OCCc2cccc3ccccc23)C(C)(C)CC)cc1.CCC(C)c1ccc(OC(OCc2ccccc2)C(C)(C)CC)cc1
InChIInChI=1S/C28H36O2.C25H40O2.C23H32O2.C22H32O2.4C10H14O/c1-6-21(3)22-15-17-25(18-16-22)30-27(28(4,5)7-2)29-20-19-24-13-10-12-23-11-8-9-14-26(23)24;1-4-20(2)22-13-15-23(16-14-22)27-24(25(3)17-9-6-10-18-25)26-19-21-11-7-5-8-12-21;1-6-18(3)20-13-15-21(16-14-20)25-22(23(4,5)7-2)24-17-19-11-9-8-10-12-19;1-4-15(2)19-5-7-20(8-6-19)24-21(23-3)22-12-16-9-17(13-22)11-18(10-16)14-22;4*1-3-8(2)9-4-6-10(11)7-5-9/h8-18,21,27H,6-7,19-20H2,1-5H3;13-16,20-21,24H,4-12,17-19H2,1-3H3;8-16,18,22H,6-7,17H2,1-5H3;5-8,15-18,21H,4,9-14H2,1-3H3;4*4-8,11H,3H2,1-2H3
InChIKeyGILSRGKMMDBOID-UHFFFAOYSA-N
MW2047.07 g/mol
LogP39.17
Rot. Bonds41

About 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

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 (PubChem CID 158266175) has the molecular formula C138H196O12 and a molecular weight of 2047.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158266175
Molecular FormulaC138H196O12
Molecular Weight2047.07 g/mol
Exact Mass2045.47
IUPAC Name1-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
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OC)C23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OC(OCC2CCCCC2)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OCCc2cccc3ccccc23)C(C)(C)CC)cc1.CCC(C)c1ccc(OC(OCc2ccccc2)C(C)(C)CC)cc1
InChIInChI=1S/C28H36O2.C25H40O2.C23H32O2.C22H32O2.4C10H14O/c1-6-21(3)22-15-17-25(18-16-22)30-27(28(4,5)7-2)29-20-19-24-13-10-12-23-11-8-9-14-26(23)24;1-4-20(2)22-13-15-23(16-14-22)27-24(25(3)17-9-6-10-18-25)26-19-21-11-7-5-8-12-21;1-6-18(3)20-13-15-21(16-14-20)25-22(23(4,5)7-2)24-17-19-11-9-8-10-12-19;1-4-15(2)19-5-7-20(8-6-19)24-21(23-3)22-12-16-9-17(13-22)11-18(10-16)14-22;4*1-3-8(2)9-4-6-10(11)7-5-9/h8-18,21,27H,6-7,19-20H2,1-5H3;13-16,20-21,24H,4-12,17-19H2,1-3H3;8-16,18,22H,6-7,17H2,1-5H3;5-8,15-18,21H,4,9-14H2,1-3H3;4*4-8,11H,3H2,1-2H3
InChIKeyGILSRGKMMDBOID-UHFFFAOYSA-N
XLogP39.17
TPSA154.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds41
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.07
LogP ≤ 539.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;1-butan-2-yl-4-phenylmethoxybenzene
CID 157125767
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane
CID 159180214
1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);1-[[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]methyl]naphthalene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;(1-methoxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
CID 165054176
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
4-butan-2-ylphenol;2-[1-(4-butan-2-ylphenoxy)-2,2-diethylbutoxy]adamantane;1-[(4-butan-2-ylphenoxy)methyl]naphthalene
CID 160596052
1-[(4-butan-2-ylphenoxy)-ethoxymethyl]adamantane
CID 89398620
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexylsulfanylethoxy)ethoxy]benzene;tris(4-butan-2-ylphenol);bis((4-butan-2-ylphenyl) acetate);1-butan-2-yl-4-(1-phenylmethoxyethoxy)benzene
CID 158900602
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 123756996
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 2-thiophen-3-ylacetate;[4-[6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[6-[4-[1-(cyclohexylmethoxy)ethoxy]phenyl]-4-(4-hydroxyphenyl)octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-[1-(2-phenylethoxy)ethoxy]phenyl]octan-2-yl]phenyl] acetate;[4-[4-(4-hydroxyphenyl)-6-[4-(1-phenylmethoxyethoxy)phenyl]octan-2-yl]phenyl] acetate
CID 160564238
2-[[1-(4-butan-2-ylphenoxy)-2-cyclohexyl-2-(1H-indol-3-yl)propoxy]methyl]phenol
CID 89398611
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OC)C23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OC(OCC2CCCCC2)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OCCc2cccc3ccccc23)C(C)(C)CC)cc1.CCC(C)c1ccc(OC(OCc2ccccc2)C(C)(C)CC)cc1.
What is the InChIKey of 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?
The InChIKey is GILSRGKMMDBOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O2.C25H40O2.C23H32O2.C22H32O2.4C10H14O/c1-6-21(3)22-15-17-25(18-16-22)30-27(28(4,5)7-2)29-20-19-24-13-10-12-23-11-8-9-14-26(23)24;1-4-20(2)22-13-15-23(16-14-22)27-24(25(3)17-9-6-10-18-25)26-19-21-11-7-5-8-12-21;1-6-18(3)20-13-15-21(16-14-20)25-22(23(4,5)7-2)24-17-19-11-9-8-10-12-19;1-4-15(2)19-5-7-20(8-6-19)24-21(23-3)22-12-16-9-17(13-22)11-18(10-16)14-22;4*1-3-8(2)9-4-6-10(11)7-5-9/h8-18,21,27H,6-7,19-20H2,1-5H3;13-16,20-21,24H,4-12,17-19H2,1-3H3;8-16,18,22H,6-7,17H2,1-5H3;5-8,15-18,21H,4,9-14H2,1-3H3;4*4-8,11H,3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2047.07 g/mol, XLogP of 39.17, 41 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158266175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).