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

C163H268O21 — CID 160721201

IUPAC4-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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)c(C(=O)OC)c1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)c(OC)c1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(OCCOc1ccc(C2CCCCC2)cc1)Oc1ccc(C(C)CC)cc1.CCC(OCCOc1ccc(C2CCCCC2)cc1)Oc1ccc(C(C)CC)cc1OC
InChIInChI=1S/C28H40O4.C27H38O4.C27H38O3.C26H36O3.C22H34O4.C21H34O3.12CH4/c1-5-21(3)24-14-17-26(27(20-24)29-4)32-28(6-2)31-19-18-30-25-15-12-23(13-16-25)22-10-8-7-9-11-22;1-5-20(2)24-13-16-26(27(19-24)28-4)31-21(3)29-17-18-30-25-14-11-23(12-15-25)22-9-7-6-8-10-22;1-4-21(3)22-11-17-26(18-12-22)30-27(5-2)29-20-19-28-25-15-13-24(14-16-25)23-9-7-6-8-10-23;1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;1-5-16(2)19-11-12-21(20(15-19)22(23)24-4)26-17(3)25-14-13-18-9-7-6-8-10-18;1-5-16(2)19-11-12-20(21(15-19)22-4)24-17(3)23-14-13-18-9-7-6-8-10-18;;;;;;;;;;;;/h12-17,20-22,28H,5-11,18-19H2,1-4H3;11-16,19-22H,5-10,17-18H2,1-4H3;11-18,21,23,27H,4-10,19-20H2,1-3H3;10-17,20-21,23H,4-9,18-19H2,1-3H3;11-12,15-18H,5-10,13-14H2,1-4H3;11-12,15-18H,5-10,13-14H2,1-4H3;12*1H4
InChIKeyRTCZJFAGHYHGIR-UHFFFAOYSA-N
MW2563.92 g/mol
LogP48.32
Rot. Bonds62

About 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

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 (PubChem CID 160721201) has the molecular formula C163H268O21 and a molecular weight of 2563.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160721201
Molecular FormulaC163H268O21
Molecular Weight2563.92 g/mol
Exact Mass2561.99
IUPAC Name4-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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)c(C(=O)OC)c1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)c(OC)c1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(OCCOc1ccc(C2CCCCC2)cc1)Oc1ccc(C(C)CC)cc1.CCC(OCCOc1ccc(C2CCCCC2)cc1)Oc1ccc(C(C)CC)cc1OC
InChIInChI=1S/C28H40O4.C27H38O4.C27H38O3.C26H36O3.C22H34O4.C21H34O3.12CH4/c1-5-21(3)24-14-17-26(27(20-24)29-4)32-28(6-2)31-19-18-30-25-15-12-23(13-16-25)22-10-8-7-9-11-22;1-5-20(2)24-13-16-26(27(19-24)28-4)31-21(3)29-17-18-30-25-14-11-23(12-15-25)22-9-7-6-8-10-22;1-4-21(3)22-11-17-26(18-12-22)30-27(5-2)29-20-19-28-25-15-13-24(14-16-25)23-9-7-6-8-10-23;1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;1-5-16(2)19-11-12-21(20(15-19)22(23)24-4)26-17(3)25-14-13-18-9-7-6-8-10-18;1-5-16(2)19-11-12-20(21(15-19)22-4)24-17(3)23-14-13-18-9-7-6-8-10-18;;;;;;;;;;;;/h12-17,20-22,28H,5-11,18-19H2,1-4H3;11-16,19-22H,5-10,17-18H2,1-4H3;11-18,21,23,27H,4-10,19-20H2,1-3H3;10-17,20-21,23H,4-9,18-19H2,1-3H3;11-12,15-18H,5-10,13-14H2,1-4H3;11-12,15-18H,5-10,13-14H2,1-4H3;12*1H4
InChIKeyRTCZJFAGHYHGIR-UHFFFAOYSA-N
XLogP48.32
TPSA201.67 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds62
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.92
LogP ≤ 548.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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 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 with MolForge

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Related Compounds

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
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
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-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
CID 90780259
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
4-[4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]phenyl]-2,5-dimethylhexan-2-amine
CID 123490270
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
5-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,2,3-trimethoxybenzene
CID 20722011
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 123756996
1-butan-2-yl-4-[1-[3-(3-cyclohexylphenyl)propoxy]ethoxy]benzene
CID 88993256
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
butane-1-sulfonate;bis(butan-2-ylbenzene);bis(1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene);4-butan-2-ylphenol;[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenyl]-diphenylsulfanium;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;methane
CID 158595110

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)c(C(=O)OC)c1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)c(OC)c1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(OCCOc1ccc(C2CCCCC2)cc1)Oc1ccc(C(C)CC)cc1.CCC(OCCOc1ccc(C2CCCCC2)cc1)Oc1ccc(C(C)CC)cc1OC.
What is the InChIKey of 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?
The InChIKey is RTCZJFAGHYHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O4.C27H38O4.C27H38O3.C26H36O3.C22H34O4.C21H34O3.12CH4/c1-5-21(3)24-14-17-26(27(20-24)29-4)32-28(6-2)31-19-18-30-25-15-12-23(13-16-25)22-10-8-7-9-11-22;1-5-20(2)24-13-16-26(27(19-24)28-4)31-21(3)29-17-18-30-25-14-11-23(12-15-25)22-9-7-6-8-10-22;1-4-21(3)22-11-17-26(18-12-22)30-27(5-2)29-20-19-28-25-15-13-24(14-16-25)23-9-7-6-8-10-23;1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;1-5-16(2)19-11-12-21(20(15-19)22(23)24-4)26-17(3)25-14-13-18-9-7-6-8-10-18;1-5-16(2)19-11-12-20(21(15-19)22-4)24-17(3)23-14-13-18-9-7-6-8-10-18;;;;;;;;;;;;/h12-17,20-22,28H,5-11,18-19H2,1-4H3;11-16,19-22H,5-10,17-18H2,1-4H3;11-18,21,23,27H,4-10,19-20H2,1-3H3;10-17,20-21,23H,4-9,18-19H2,1-3H3;11-12,15-18H,5-10,13-14H2,1-4H3;11-12,15-18H,5-10,13-14H2,1-4H3;12*1H4.
What are the key properties of 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?
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 has a molecular weight of 2563.92 g/mol, XLogP of 48.32, 62 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160721201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).