1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate

C116H176O18 — CID 158766851

IUPAC1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate
SMILESCCC(C)c1ccc(O)c(C(=O)OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1C(=O)OC.CCOc1cc(C(C)CC)ccc1O.CCOc1cc(C(C)CC)ccc1OC(C)OCCC1CCCCC1
InChIInChI=1S/C22H36O3.C20H32O2.C16H24O4.C14H22O2.C12H16O3.C12H18O2.2C10H14O/c1-5-17(3)20-12-13-21(22(16-20)23-6-2)25-18(4)24-15-14-19-10-8-7-9-11-19;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-6-11(3)13-8-9-15(20-12(4)19-7-2)14(10-13)16(17)18-5;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-4-8(2)9-5-6-11(13)10(7-9)12(14)15-3;1-4-9(3)10-6-7-11(13)12(8-10)14-5-2;2*1-3-8(2)9-4-6-10(11)7-5-9/h12-13,16-19H,5-11,14-15H2,1-4H3;10-13,16-18H,4-9,14-15H2,1-3H3;8-12H,6-7H2,1-5H3;7-12H,5-6H2,1-4H3;5-8,13H,4H2,1-3H3;6-9,13H,4-5H2,1-3H3;2*4-8,11H,3H2,1-2H3
InChIKeyIPJFQQZKJNXZFJ-UHFFFAOYSA-N
MW1858.67 g/mol
LogP31.74
Rot. Bonds42

About 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate (PubChem CID 158766851) has the molecular formula C116H176O18 and a molecular weight of 1858.67 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate
PubChem CID158766851
Molecular FormulaC116H176O18
Molecular Weight1858.67 g/mol
Exact Mass1857.29
IUPAC Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate
SMILESCCC(C)c1ccc(O)c(C(=O)OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1C(=O)OC.CCOc1cc(C(C)CC)ccc1O.CCOc1cc(C(C)CC)ccc1OC(C)OCCC1CCCCC1
InChIInChI=1S/C22H36O3.C20H32O2.C16H24O4.C14H22O2.C12H16O3.C12H18O2.2C10H14O/c1-5-17(3)20-12-13-21(22(16-20)23-6-2)25-18(4)24-15-14-19-10-8-7-9-11-19;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-6-11(3)13-8-9-15(20-12(4)19-7-2)14(10-13)16(17)18-5;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-4-8(2)9-5-6-11(13)10(7-9)12(14)15-3;1-4-9(3)10-6-7-11(13)12(8-10)14-5-2;2*1-3-8(2)9-4-6-10(11)7-5-9/h12-13,16-19H,5-11,14-15H2,1-4H3;10-13,16-18H,4-9,14-15H2,1-3H3;8-12H,6-7H2,1-5H3;7-12H,5-6H2,1-4H3;5-8,13H,4H2,1-3H3;6-9,13H,4-5H2,1-3H3;2*4-8,11H,3H2,1-2H3
InChIKeyIPJFQQZKJNXZFJ-UHFFFAOYSA-N
XLogP31.74
TPSA225.82 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.67
LogP ≤ 531.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate with MolForge

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Related Compounds

4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-methoxybenzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;4-butan-2-yl-1-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]-2-methoxybenzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]propoxy]benzene;4-butan-2-yl-1-[1-[2-(4-cyclohexylphenoxy)ethoxy]propoxy]-2-methoxybenzene;methane;methyl 5-butan-2-yl-2-[1-(2-cyclohexylethoxy)ethoxy]benzoate
CID 160721201
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
2-bromo-4-butan-2-ylphenol;(2-bromo-4-butan-2-ylphenyl) acetate;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-methoxybenzene;4-butan-2-yl-1-(1-ethoxyethoxy)-2-methylbenzene;4-butan-2-yl-2-methoxyphenol;(4-butan-2-yl-2-methoxyphenyl) acetate;4-butan-2-yl-2-methylphenol;(4-butan-2-yl-2-methylphenyl) acetate
CID 159729993
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane
CID 159180214
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;tris(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-methoxymethanol;tert-butyl 2-methylbutanoate
CID 161095237
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
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424
methyl 2-(1-ethoxyethoxy)-5-(2,5,5-trimethylhexan-3-yl)benzoate
CID 143762717
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 123756996
bis(4-butan-2-ylbenzenesulfonate);1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;bis(4-butan-2-ylphenol);bis(triphenylsulfanium)
CID 160574723
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);2-ethenoxyethylcyclohexane;phosphanide;sulfur trioxide;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 158557801

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate?
The IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate (CID 158766851) is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate.
What is the SMILES notation for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate?
The canonical SMILES for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate is CCC(C)c1ccc(O)c(C(=O)OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1C(=O)OC.CCOc1cc(C(C)CC)ccc1O.CCOc1cc(C(C)CC)ccc1OC(C)OCCC1CCCCC1.
What is the InChIKey of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate?
The InChIKey is IPJFQQZKJNXZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3.C20H32O2.C16H24O4.C14H22O2.C12H16O3.C12H18O2.2C10H14O/c1-5-17(3)20-12-13-21(22(16-20)23-6-2)25-18(4)24-15-14-19-10-8-7-9-11-19;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-6-11(3)13-8-9-15(20-12(4)19-7-2)14(10-13)16(17)18-5;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-4-8(2)9-5-6-11(13)10(7-9)12(14)15-3;1-4-9(3)10-6-7-11(13)12(8-10)14-5-2;2*1-3-8(2)9-4-6-10(11)7-5-9/h12-13,16-19H,5-11,14-15H2,1-4H3;10-13,16-18H,4-9,14-15H2,1-3H3;8-12H,6-7H2,1-5H3;7-12H,5-6H2,1-4H3;5-8,13H,4H2,1-3H3;6-9,13H,4-5H2,1-3H3;2*4-8,11H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate?
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate has a molecular weight of 1858.67 g/mol, XLogP of 31.74, 42 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-ethoxybenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-ethoxyphenol;bis(4-butan-2-ylphenol);methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate is sourced from PubChem (CID 158766851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).