1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

C173H186Br3IN4O22 — CID 157438458

About 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine (PubChem CID 157438458) has the molecular formula C173H186Br3IN4O22 and a molecular weight of 3040.01 g/mol. Its IUPAC name is 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

• Compound Name: 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
• PubChem CID: 157438458
• Molecular Formula: C173H186Br3IN4O22
• Molecular Weight: 3040.01 g/mol
• Exact Mass: 3035.02
• IUPAC Name: 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
• SMILES: BrCc1ccccc1.Brc1ccc(OCCN2CCCC2)cc1.CI.COc1cc2c(cc1OC)C(=O)CCC2.COc1cc2c(cc1OCc1ccccc1)CCC(Br)=C2c1ccc(OCCN2CCCC2)cc1.COc1cc2c(cc1OCc1ccccc1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1.COc1cc2c(cc1OCc1ccccc1)CCC=C2c1ccc(OCCN2CCCC2)cc1.COc1cc2c(cc1OCc1ccccc1)CCCC2=O.O=C1CCCc2cc(O)c(O)cc21.O=C1CCCc2cc(OCc3ccccc3)c(O)cc21
• InChI: InChI=1S/C36H37NO3.C30H32BrNO3.C30H33NO3.C18H18O3.C17H16O3.C12H16BrNO.C12H14O3.C10H10O3.C7H7Br.CH3I/c1-38-34-25-33-30(24-35(34)40-26-27-10-4-2-5-11-27)16-19-32(28-12-6-3-7-13-28)36(33)29-14-17-31(18-15-29)39-23-22-37-20-8-9-21-37;1-33-28-20-26-24(19-29(28)35-21-22-7-3-2-4-8-22)11-14-27(31)30(26)23-9-12-25(13-10-23)34-18-17-32-15-5-6-16-32;1-32-29-21-28-25(20-30(29)34-22-23-8-3-2-4-9-23)10-7-11-27(28)24-12-14-26(15-13-24)33-19-18-31-16-5-6-17-31;1-20-17-11-15-14(8-5-9-16(15)19)10-18(17)21-12-13-6-3-2-4-7-13;18-15-8-4-7-13-9-17(16(19)10-14(13)15)20-11-12-5-2-1-3-6-12;13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14;1-14-11-6-8-4-3-5-10(13)9(8)7-12(11)15-2;11-8-3-1-2-6-4-9(12)10(13)5-7(6)8;8-6-7-4-2-1-3-5-7;1-2/h2-7,10-15,17-18,24-25H,8-9,16,19-23,26H2,1H3;2-4,7-10,12-13,19-20H,5-6,11,14-18,21H2,1H3;2-4,8-9,11-15,20-21H,5-7,10,16-19,22H2,1H3;2-4,6-7,10-11H,5,8-9,12H2,1H3;1-3,5-6,9-10,19H,4,7-8,11H2;3-6H,1-2,7-10H2;6-7H,3-5H2,1-2H3;4-5,12-13H,1-3H2;1-5H,6H2;1H3
• InChIKey: BRJNXKVRANJVML-UHFFFAOYSA-N
• XLogP: 38.31
• TPSA: 280.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3040.01
LogP ≤ 5	38.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine?

The IUPAC name of 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine (CID 157438458) is 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine.

What is the SMILES notation for 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine?

The canonical SMILES for 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine is BrCc1ccccc1.Brc1ccc(OCCN2CCCC2)cc1.CI.COc1cc2c(cc1OC)C(=O)CCC2.COc1cc2c(cc1OCc1ccccc1)CCC(Br)=C2c1ccc(OCCN2CCCC2)cc1.COc1cc2c(cc1OCc1ccccc1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1.COc1cc2c(cc1OCc1ccccc1)CCC=C2c1ccc(OCCN2CCCC2)cc1.COc1cc2c(cc1OCc1ccccc1)CCCC2=O.O=C1CCCc2cc(O)c(O)cc21.O=C1CCCc2cc(OCc3ccccc3)c(O)cc21.

What is the InChIKey of 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine?

The InChIKey is BRJNXKVRANJVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NO3.C30H32BrNO3.C30H33NO3.C18H18O3.C17H16O3.C12H16BrNO.C12H14O3.C10H10O3.C7H7Br.CH3I/c1-38-34-25-33-30(24-35(34)40-26-27-10-4-2-5-11-27)16-19-32(28-12-6-3-7-13-28)36(33)29-14-17-31(18-15-29)39-23-22-37-20-8-9-21-37;1-33-28-20-26-24(19-29(28)35-21-22-7-3-2-4-8-22)11-14-27(31)30(26)23-9-12-25(13-10-23)34-18-17-32-15-5-6-16-32;1-32-29-21-28-25(20-30(29)34-22-23-8-3-2-4-9-23)10-7-11-27(28)24-12-14-26(15-13-24)33-19-18-31-16-5-6-17-31;1-20-17-11-15-14(8-5-9-16(15)19)10-18(17)21-12-13-6-3-2-4-7-13;18-15-8-4-7-13-9-17(16(19)10-14(13)15)20-11-12-5-2-1-3-6-12;13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14;1-14-11-6-8-4-3-5-10(13)9(8)7-12(11)15-2;11-8-3-1-2-6-4-9(12)10(13)5-7(6)8;8-6-7-4-2-1-3-5-7;1-2/h2-7,10-15,17-18,24-25H,8-9,16,19-23,26H2,1H3;2-4,7-10,12-13,19-20H,5-6,11,14-18,21H2,1H3;2-4,8-9,11-15,20-21H,5-7,10,16-19,22H2,1H3;2-4,6-7,10-11H,5,8-9,12H2,1H3;1-3,5-6,9-10,19H,4,7-8,11H2;3-6H,1-2,7-10H2;6-7H,3-5H2,1-2H3;4-5,12-13H,1-3H2;1-5H,6H2;1H3.

What are the key properties of 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine?

1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine has a molecular weight of 3040.01 g/mol, XLogP of 38.31, 42 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 157438458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).