1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid

C124H152Br2N8O33 — CID 161088341

About 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid

1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid (PubChem CID 161088341) has the molecular formula C124H152Br2N8O33 and a molecular weight of 2442.41 g/mol. Its IUPAC name is 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid.

Molecular Properties

• Compound Name: 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid
• PubChem CID: 161088341
• Molecular Formula: C124H152Br2N8O33
• Molecular Weight: 2442.41 g/mol
• Exact Mass: 2438.88
• IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid
• SMILES: CC(=O)c1ccc(Br)cc1O.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(Br)cc1O2.CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(C#N)cc1O2.COC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O.COC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2O.COC(=O)c1ccc2c(c1)OC1(CCNCC1)CC2=O.O=C(O)c1ccc2c(c1)OC1(CCNCC1)CC2=O
• InChI: InChI=1S/C20H27NO6.C20H25NO6.C19H22N2O4.C18H22BrNO4.C15H17NO4.C14H15NO4.C10H17NO3.C8H7BrO2/c2*1-19(2,3)27-18(24)21-9-7-20(8-10-21)12-15(22)14-6-5-13(17(23)25-4)11-16(14)26-20;1-18(2,3)25-17(23)21-8-6-19(7-9-21)11-15(22)14-5-4-13(12-20)10-16(14)24-19;1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-5-4-12(19)10-15(13)23-18;1-19-14(18)10-2-3-11-12(17)9-15(20-13(11)8-10)4-6-16-7-5-15;16-11-8-14(3-5-15-6-4-14)19-12-7-9(13(17)18)1-2-10(11)12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5(10)7-3-2-6(9)4-8(7)11/h5-6,11,15,22H,7-10,12H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;2-3,8,16H,4-7,9H2,1H3;1-2,7,15H,3-6,8H2,(H,17,18);4-7H2,1-3H3;2-4,11H,1H3
• InChIKey: UGVGLZUKTFCELL-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 527.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 5
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.41
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid?

The IUPAC name of 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid (CID 161088341) is 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid.

What is the SMILES notation for 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid?

The canonical SMILES for 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid is CC(=O)c1ccc(Br)cc1O.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(Br)cc1O2.CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(C#N)cc1O2.COC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O.COC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2O.COC(=O)c1ccc2c(c1)OC1(CCNCC1)CC2=O.O=C(O)c1ccc2c(c1)OC1(CCNCC1)CC2=O.

What is the InChIKey of 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid?

The InChIKey is UGVGLZUKTFCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6.C20H25NO6.C19H22N2O4.C18H22BrNO4.C15H17NO4.C14H15NO4.C10H17NO3.C8H7BrO2/c2*1-19(2,3)27-18(24)21-9-7-20(8-10-21)12-15(22)14-6-5-13(17(23)25-4)11-16(14)26-20;1-18(2,3)25-17(23)21-8-6-19(7-9-21)11-15(22)14-5-4-13(12-20)10-16(14)24-19;1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-5-4-12(19)10-15(13)23-18;1-19-14(18)10-2-3-11-12(17)9-15(20-13(11)8-10)4-6-16-7-5-15;16-11-8-14(3-5-15-6-4-14)19-12-7-9(13(17)18)1-2-10(11)12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5(10)7-3-2-6(9)4-8(7)11/h5-6,11,15,22H,7-10,12H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;2-3,8,16H,4-7,9H2,1H3;1-2,7,15H,3-6,8H2,(H,17,18);4-7H2,1-3H3;2-4,11H,1H3.

What are the key properties of 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid?

1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid has a molecular weight of 2442.41 g/mol, XLogP of 20.72, 5 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-2-hydroxyphenyl)ethanone;tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;tert-butyl 7-cyano-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;1-O'-tert-butyl 7-O-methyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1',7-dicarboxylate;1-O'-tert-butyl 7-O-methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1',7-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methyl 4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylate;4-oxospiro[3H-chromene-2,4'-piperidine]-7-carboxylic acid is sourced from PubChem (CID 161088341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).