2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate

C87H85Br9N10O23 — CID 158697878

About 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate

2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate (PubChem CID 158697878) has the molecular formula C87H85Br9N10O23 and a molecular weight of 2357.82 g/mol. Its IUPAC name is 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
• PubChem CID: 158697878
• Molecular Formula: C87H85Br9N10O23
• Molecular Weight: 2357.82 g/mol
• Exact Mass: 2347.84
• IUPAC Name: 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
• SMILES: BrCc1ccccc1.COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Br)cc(O)cc2[nH]1.COCBr.COCOc1cc(Br)c2cc(C(=O)OC)[nH]c2c1.COCOc1ccc(/C=C(\N=[N+]=[N-])C(=O)OC)c(Br)c1.COCOc1ccc(C=O)c(Br)c1.O=Cc1ccc(O)cc1Br.OCc1cc2c(Br)cc(O)cc2[nH]1.OCc1cc2c(Br)cc(OCc3ccccc3)cc2[nH]1
• InChI: InChI=1S/C16H14BrNO2.C12H12BrN3O4.C12H12BrNO4.C10H8BrNO3.C9H8BrNO2.C9H9BrO3.C7H5BrO2.C7H7Br.C3H5N3O2.C2H5BrO/c17-15-7-13(20-10-11-4-2-1-3-5-11)8-16-14(15)6-12(9-19)18-16;1-18-7-20-9-4-3-8(10(13)6-9)5-11(15-16-14)12(17)19-2;1-16-6-18-7-3-9(13)8-5-11(12(15)17-2)14-10(8)4-7;1-15-10(14)9-4-6-7(11)2-5(13)3-8(6)12-9;10-8-2-6(13)3-9-7(8)1-5(4-12)11-9;1-12-6-13-8-3-2-7(5-11)9(10)4-8;8-7-3-6(10)2-1-5(7)4-9;8-6-7-4-2-1-3-5-7;1-8-3(7)2-5-6-4;1-4-2-3/h1-8,18-19H,9-10H2;3-6H,7H2,1-2H3;3-5,14H,6H2,1-2H3;2-4,12-13H,1H3;1-3,11-13H,4H2;2-5H,6H2,1H3;1-4,10H;1-5H,6H2;2H2,1H3;2H2,1H3/b;11-5-
• InChIKey: IHEAZJIFNTXGCS-IYJATSTMSA-N
• XLogP: 22.76
• TPSA: 475.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2357.82
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate?

The IUPAC name of 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate (CID 158697878) is 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate.

What is the SMILES notation for 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate?

The canonical SMILES for 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate is BrCc1ccccc1.COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Br)cc(O)cc2[nH]1.COCBr.COCOc1cc(Br)c2cc(C(=O)OC)[nH]c2c1.COCOc1ccc(/C=C(\N=[N+]=[N-])C(=O)OC)c(Br)c1.COCOc1ccc(C=O)c(Br)c1.O=Cc1ccc(O)cc1Br.OCc1cc2c(Br)cc(O)cc2[nH]1.OCc1cc2c(Br)cc(OCc3ccccc3)cc2[nH]1.

What is the InChIKey of 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate?

The InChIKey is IHEAZJIFNTXGCS-IYJATSTMSA-N. The full InChI is InChI=1S/C16H14BrNO2.C12H12BrN3O4.C12H12BrNO4.C10H8BrNO3.C9H8BrNO2.C9H9BrO3.C7H5BrO2.C7H7Br.C3H5N3O2.C2H5BrO/c17-15-7-13(20-10-11-4-2-1-3-5-11)8-16-14(15)6-12(9-19)18-16;1-18-7-20-9-4-3-8(10(13)6-9)5-11(15-16-14)12(17)19-2;1-16-6-18-7-3-9(13)8-5-11(12(15)17-2)14-10(8)4-7;1-15-10(14)9-4-6-7(11)2-5(13)3-8(6)12-9;10-8-2-6(13)3-9-7(8)1-5(4-12)11-9;1-12-6-13-8-3-2-7(5-11)9(10)4-8;8-7-3-6(10)2-1-5(7)4-9;8-6-7-4-2-1-3-5-7;1-8-3(7)2-5-6-4;1-4-2-3/h1-8,18-19H,9-10H2;3-6H,7H2,1-2H3;3-5,14H,6H2,1-2H3;2-4,12-13H,1H3;1-3,11-13H,4H2;2-5H,6H2,1H3;1-4,10H;1-5H,6H2;2H2,1H3;2H2,1H3/b;11-5-;;;;;;;;.

What are the key properties of 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate?

2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate has a molecular weight of 2357.82 g/mol, XLogP of 22.76, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-hydroxybenzaldehyde;4-bromo-2-(hydroxymethyl)-1H-indol-6-ol;bromo(methoxy)methane;2-bromo-4-(methoxymethoxy)benzaldehyde;bromomethylbenzene;(4-bromo-6-phenylmethoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[2-bromo-4-(methoxymethoxy)phenyl]prop-2-enoate;methyl 4-bromo-6-hydroxy-1H-indole-2-carboxylate;methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 158697878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).