1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene

C128H178F6O23 — CID 157154281

IUPAC1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OCCOC(=O)c2ccc(OC)cc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(=O)c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(F)(F)F)cc1.CCC(C)c1cccc(OC(C)OCCC2CCCCC2)c1.CCC(C)c1cccc(OC(C)OCCOC(F)(F)F)c1.CCC(C)c1cccc(OC(C)OCCOc2ccc(OC)cc2)c1.CCOC(C)Oc1cccc(C(C)CC)c1
InChIInChI=1S/C22H28O5.C21H28O4.C21H26O4.C20H32O2.2C15H21F3O3.C14H22O2/c1-5-16(2)18-6-12-21(13-7-18)27-17(3)25-14-15-26-22(23)19-8-10-20(24-4)11-9-19;1-5-16(2)18-7-6-8-21(15-18)25-17(3)23-13-14-24-20-11-9-19(22-4)10-12-20;1-4-16(2)18-10-12-20(13-11-18)25-17(3)23-14-15-24-21(22)19-8-6-5-7-9-19;1-4-16(2)19-11-8-12-20(15-19)22-17(3)21-14-13-18-9-6-5-7-10-18;1-4-11(2)13-5-7-14(8-6-13)21-12(3)19-9-10-20-15(16,17)18;1-4-11(2)13-6-5-7-14(10-13)21-12(3)19-8-9-20-15(16,17)18;1-5-11(3)13-8-7-9-14(10-13)16-12(4)15-6-2/h6-13,16-17H,5,14-15H2,1-4H3;6-12,15-17H,5,13-14H2,1-4H3;5-13,16-17H,4,14-15H2,1-3H3;8,11-12,15-18H,4-7,9-10,13-14H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3;5-7,10-12H,4,8-9H2,1-3H3;7-12H,5-6H2,1-4H3
InChIKeyALPYAHZUZOLQQS-UHFFFAOYSA-N
MW2198.80 g/mol
LogP33.46
Rot. Bonds59

About 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene

1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene (PubChem CID 157154281) has the molecular formula C128H178F6O23 and a molecular weight of 2198.80 g/mol. Its IUPAC name is 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene
PubChem CID157154281
Molecular FormulaC128H178F6O23
Molecular Weight2198.80 g/mol
Exact Mass2197.27
IUPAC Name1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OCCOC(=O)c2ccc(OC)cc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(=O)c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(F)(F)F)cc1.CCC(C)c1cccc(OC(C)OCCC2CCCCC2)c1.CCC(C)c1cccc(OC(C)OCCOC(F)(F)F)c1.CCC(C)c1cccc(OC(C)OCCOc2ccc(OC)cc2)c1.CCOC(C)Oc1cccc(C(C)CC)c1
InChIInChI=1S/C22H28O5.C21H28O4.C21H26O4.C20H32O2.2C15H21F3O3.C14H22O2/c1-5-16(2)18-6-12-21(13-7-18)27-17(3)25-14-15-26-22(23)19-8-10-20(24-4)11-9-19;1-5-16(2)18-7-6-8-21(15-18)25-17(3)23-13-14-24-20-11-9-19(22-4)10-12-20;1-4-16(2)18-10-12-20(13-11-18)25-17(3)23-14-15-24-21(22)19-8-6-5-7-9-19;1-4-16(2)19-11-8-12-20(15-19)22-17(3)21-14-13-18-9-6-5-7-10-18;1-4-11(2)13-5-7-14(8-6-13)21-12(3)19-9-10-20-15(16,17)18;1-4-11(2)13-6-5-7-14(10-13)21-12(3)19-8-9-20-15(16,17)18;1-5-11(3)13-8-7-9-14(10-13)16-12(4)15-6-2/h6-13,16-17H,5,14-15H2,1-4H3;6-12,15-17H,5,13-14H2,1-4H3;5-13,16-17H,4,14-15H2,1-3H3;8,11-12,15-18H,4-7,9-10,13-14H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3;5-7,10-12H,4,8-9H2,1-3H3;7-12H,5-6H2,1-4H3
InChIKeyALPYAHZUZOLQQS-UHFFFAOYSA-N
XLogP33.46
TPSA227.97 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds59
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.80
LogP ≤ 533.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene (CID 157154281) is 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene is CCC(C)c1ccc(OC(C)OCCOC(=O)c2ccc(OC)cc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(=O)c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(F)(F)F)cc1.CCC(C)c1cccc(OC(C)OCCC2CCCCC2)c1.CCC(C)c1cccc(OC(C)OCCOC(F)(F)F)c1.CCC(C)c1cccc(OC(C)OCCOc2ccc(OC)cc2)c1.CCOC(C)Oc1cccc(C(C)CC)c1.
What is the InChIKey of 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene?
The InChIKey is ALPYAHZUZOLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5.C21H28O4.C21H26O4.C20H32O2.2C15H21F3O3.C14H22O2/c1-5-16(2)18-6-12-21(13-7-18)27-17(3)25-14-15-26-22(23)19-8-10-20(24-4)11-9-19;1-5-16(2)18-7-6-8-21(15-18)25-17(3)23-13-14-24-20-11-9-19(22-4)10-12-20;1-4-16(2)18-10-12-20(13-11-18)25-17(3)23-14-15-24-21(22)19-8-6-5-7-9-19;1-4-16(2)19-11-8-12-20(15-19)22-17(3)21-14-13-18-9-6-5-7-10-18;1-4-11(2)13-5-7-14(8-6-13)21-12(3)19-9-10-20-15(16,17)18;1-4-11(2)13-6-5-7-14(10-13)21-12(3)19-8-9-20-15(16,17)18;1-5-11(3)13-8-7-9-14(10-13)16-12(4)15-6-2/h6-13,16-17H,5,14-15H2,1-4H3;6-12,15-17H,5,13-14H2,1-4H3;5-13,16-17H,4,14-15H2,1-3H3;8,11-12,15-18H,4-7,9-10,13-14H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3;5-7,10-12H,4,8-9H2,1-3H3;7-12H,5-6H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene?
1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene has a molecular weight of 2198.80 g/mol, XLogP of 33.46, 59 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-3-(1-ethoxyethoxy)benzene;1-butan-2-yl-3-[1-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl benzoate;2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl 4-methoxybenzoate;1-butan-2-yl-3-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[2-(trifluoromethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 157154281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).