4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C109H131B3Br2Cl7N9O25 — CID 161333754

About 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161333754) has the molecular formula C109H131B3Br2Cl7N9O25 and a molecular weight of 2407.70 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161333754
• Molecular Formula: C109H131B3Br2Cl7N9O25
• Molecular Weight: 2407.70 g/mol
• Exact Mass: 2401.57
• IUPAC Name: 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(Cl)c(OC3CCC3)c2)OC1(C)C.CCOC(=O)c1[nH]nnc1Oc1ccc(Cl)c(OC2CCC2)c1.CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1ccc(Cl)c(OC2CCC2)c1.Clc1ccc(Br)cc1OC1CCC1.O=C(O)c1[nH]nnc1Oc1ccc(Cl)c(OC2CCC2)c1.OC1CCC1.Oc1cc(Br)ccc1Cl.Oc1ccc(Cl)c(OC2CCC2)c1
• InChI: InChI=1S/C23H24ClN3O5.C16H22BClO3.C15H16ClN3O4.C13H12ClN3O4.C12H24B2O4.C10H10BrClO.C10H11ClO2.C6H4BrClO.C4H8O/c1-3-30-23(28)21-22(27(26-25-21)14-15-7-9-16(29-2)10-8-15)32-18-11-12-19(24)20(13-18)31-17-5-4-6-17;1-15(2)16(3,4)21-17(20-15)11-8-9-13(18)14(10-11)19-12-6-5-7-12;1-2-21-15(20)13-14(18-19-17-13)23-10-6-7-11(16)12(8-10)22-9-4-3-5-9;14-9-5-4-8(6-10(9)20-7-2-1-3-7)21-12-11(13(18)19)15-17-16-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-7-4-5-9(12)10(6-7)13-8-2-1-3-8;11-9-5-4-7(12)6-10(9)13-8-2-1-3-8;7-4-1-2-5(8)6(9)3-4;5-4-2-1-3-4/h7-13,17H,3-6,14H2,1-2H3;8-10,12H,5-7H2,1-4H3;6-9H,2-5H2,1H3,(H,17,18,19);4-7H,1-3H2,(H,18,19)(H,15,16,17);1-8H3;4-6,8H,1-3H2;4-6,8,12H,1-3H2;1-3,9H;4-5H,1-3H2
• InChIKey: VLTIXKKJYGRHAS-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 412.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2407.70
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161333754) is 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(Cl)c(OC3CCC3)c2)OC1(C)C.CCOC(=O)c1[nH]nnc1Oc1ccc(Cl)c(OC2CCC2)c1.CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1ccc(Cl)c(OC2CCC2)c1.Clc1ccc(Br)cc1OC1CCC1.O=C(O)c1[nH]nnc1Oc1ccc(Cl)c(OC2CCC2)c1.OC1CCC1.Oc1cc(Br)ccc1Cl.Oc1ccc(Cl)c(OC2CCC2)c1.

What is the InChIKey of 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is VLTIXKKJYGRHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5.C16H22BClO3.C15H16ClN3O4.C13H12ClN3O4.C12H24B2O4.C10H10BrClO.C10H11ClO2.C6H4BrClO.C4H8O/c1-3-30-23(28)21-22(27(26-25-21)14-15-7-9-16(29-2)10-8-15)32-18-11-12-19(24)20(13-18)31-17-5-4-6-17;1-15(2)16(3,4)21-17(20-15)11-8-9-13(18)14(10-11)19-12-6-5-7-12;1-2-21-15(20)13-14(18-19-17-13)23-10-6-7-11(16)12(8-10)22-9-4-3-5-9;14-9-5-4-8(6-10(9)20-7-2-1-3-7)21-12-11(13(18)19)15-17-16-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-7-4-5-9(12)10(6-7)13-8-2-1-3-8;11-9-5-4-7(12)6-10(9)13-8-2-1-3-8;7-4-1-2-5(8)6(9)3-4;5-4-2-1-3-4/h7-13,17H,3-6,14H2,1-2H3;8-10,12H,5-7H2,1-4H3;6-9H,2-5H2,1H3,(H,17,18,19);4-7H,1-3H2,(H,18,19)(H,15,16,17);1-8H3;4-6,8H,1-3H2;4-6,8,12H,1-3H2;1-3,9H;4-5H,1-3H2.

What are the key properties of 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2407.70 g/mol, XLogP of 27.30, 28 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-chloro-2-cyclobutyloxybenzene;5-bromo-2-chlorophenol;4-chloro-3-cyclobutyloxyphenol;4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylic acid;2-(4-chloro-3-cyclobutyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclobutanol;ethyl 5-(4-chloro-3-cyclobutyloxyphenoxy)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate;ethyl 4-(4-chloro-3-cyclobutyloxyphenoxy)-1H-triazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161333754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).