1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide

C124H150Br13N2O26PS — CID 159747741

About 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide

1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide (PubChem CID 159747741) has the molecular formula C124H150Br13N2O26PS and a molecular weight of 3186.34 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide.

Molecular Properties

• Compound Name: 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide
• PubChem CID: 159747741
• Molecular Formula: C124H150Br13N2O26PS
• Molecular Weight: 3186.34 g/mol
• Exact Mass: 3171.93
• IUPAC Name: 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide
• SMILES: COCCOc1cc(Br)cc(Br)c1.COCCOc1cc(Br)cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c1.COCCOc1cc(Br)cc(C=O)c1.COCCOc1cc(Br)cc(CBr)c1.COCCOc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1.COCCOc1cc(Br)cc(CO)c1.COCCOc1cc(Br)cc(COS(C)(=O)=O)c1.COCCOc1cc(Br)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Oc1cc(Br)cc(Br)c1.[Br-]
• InChI: InChI=1S/C28H27BrO2P.C20H30BrNO4.C20H28BrNO4.C11H15BrO5S.C10H12Br2O2.C10H13BrO3.C10H11BrO3.C9H10Br2O2.C6H4Br2O.BrH/c1-30-17-18-31-25-20-23(19-24(29)21-25)22-32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;2*1-20(2,3)26-19(23)22-7-5-15(6-8-22)11-16-12-17(21)14-18(13-16)25-10-9-24-4;1-15-3-4-16-11-6-9(5-10(12)7-11)8-17-18(2,13)14;1-13-2-3-14-10-5-8(7-11)4-9(12)6-10;2*1-13-2-3-14-10-5-8(7-12)4-9(11)6-10;1-12-2-3-13-9-5-7(10)4-8(11)6-9;7-4-1-5(8)3-6(9)2-4;/h2-16,19-21H,17-18,22H2,1H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3;4-6,12H,2-3,7H2,1H3;4-7H,2-3H2,1H3;4-6H,2-3H2,1H3;1-3,9H;1H/q+1;;;;;;;;;/p-1
• InChIKey: MBSVMUHWHWLWNO-UHFFFAOYSA-M
• XLogP: 28.25
• TPSA: 307.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 46
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3186.34
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide?

The IUPAC name of 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide (CID 159747741) is 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide.

What is the SMILES notation for 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide?

The canonical SMILES for 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide is COCCOc1cc(Br)cc(Br)c1.COCCOc1cc(Br)cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c1.COCCOc1cc(Br)cc(C=O)c1.COCCOc1cc(Br)cc(CBr)c1.COCCOc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1.COCCOc1cc(Br)cc(CO)c1.COCCOc1cc(Br)cc(COS(C)(=O)=O)c1.COCCOc1cc(Br)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Oc1cc(Br)cc(Br)c1.[Br-].

What is the InChIKey of 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide?

The InChIKey is MBSVMUHWHWLWNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H27BrO2P.C20H30BrNO4.C20H28BrNO4.C11H15BrO5S.C10H12Br2O2.C10H13BrO3.C10H11BrO3.C9H10Br2O2.C6H4Br2O.BrH/c1-30-17-18-31-25-20-23(19-24(29)21-25)22-32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;2*1-20(2,3)26-19(23)22-7-5-15(6-8-22)11-16-12-17(21)14-18(13-16)25-10-9-24-4;1-15-3-4-16-11-6-9(5-10(12)7-11)8-17-18(2,13)14;1-13-2-3-14-10-5-8(7-11)4-9(12)6-10;2*1-13-2-3-14-10-5-8(7-12)4-9(11)6-10;1-12-2-3-13-9-5-7(10)4-8(11)6-9;7-4-1-5(8)3-6(9)2-4;/h2-16,19-21H,17-18,22H2,1H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3;4-6,12H,2-3,7H2,1H3;4-7H,2-3H2,1H3;4-6H,2-3H2,1H3;1-3,9H;1H/q+1;;;;;;;;;/p-1.

What are the key properties of 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide?

1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide has a molecular weight of 3186.34 g/mol, XLogP of 28.25, 46 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-(bromomethyl)-5-(2-methoxyethoxy)benzene;3-bromo-5-(2-methoxyethoxy)benzaldehyde;[3-bromo-5-(2-methoxyethoxy)phenyl]methanol;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl methanesulfonate;[3-bromo-5-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboxylate;1,3-dibromo-5-(2-methoxyethoxy)benzene;3,5-dibromophenol;bromide is sourced from PubChem (CID 159747741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).