1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine

C84H81BrCl4N6O11 — CID 158769693

About 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine

1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158769693) has the molecular formula C84H81BrCl4N6O11 and a molecular weight of 1572.32 g/mol. Its IUPAC name is 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158769693
• Molecular Formula: C84H81BrCl4N6O11
• Molecular Weight: 1572.32 g/mol
• Exact Mass: 1568.39
• IUPAC Name: 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C.COc1cc(C(OC)c2c[nH]c3ncccc23)ccc1OCc1ccc(Cl)cc1.COc1cc(C=O)ccc1O.COc1cc(C=O)ccc1OCc1ccc(Cl)cc1.COc1cc(Cc2c[nH]c3ncccc23)ccc1OCc1ccc(Cl)cc1.Clc1ccc(CBr)cc1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C23H21ClN2O3.C22H19ClN2O2.C15H13ClO3.C8H8O3.C7H6BrCl.C7H6N2.2CH4/c1-27-21-12-16(7-10-20(21)29-14-15-5-8-17(24)9-6-15)22(28-2)19-13-26-23-18(19)4-3-11-25-23;1-26-21-12-16(11-17-13-25-22-19(17)3-2-10-24-22)6-9-20(21)27-14-15-4-7-18(23)8-5-15;1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11;1-11-8-4-6(5-9)2-3-7(8)10;8-5-6-1-3-7(9)4-2-6;1-2-6-3-5-9-7(6)8-4-1;;/h3-13,22H,14H2,1-2H3,(H,25,26);2-10,12-13H,11,14H2,1H3,(H,24,25);2-9H,10H2,1H3;2-5,10H,1H3;1-4H,5H2;1-5H,(H,8,9);2*1H4
• InChIKey: IPSAYORJLRCSOO-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 214.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.32
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine (CID 158769693) is 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine is C.C.COc1cc(C(OC)c2c[nH]c3ncccc23)ccc1OCc1ccc(Cl)cc1.COc1cc(C=O)ccc1O.COc1cc(C=O)ccc1OCc1ccc(Cl)cc1.COc1cc(Cc2c[nH]c3ncccc23)ccc1OCc1ccc(Cl)cc1.Clc1ccc(CBr)cc1.c1cnc2[nH]ccc2c1.

What is the InChIKey of 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is IPSAYORJLRCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3.C22H19ClN2O2.C15H13ClO3.C8H8O3.C7H6BrCl.C7H6N2.2CH4/c1-27-21-12-16(7-10-20(21)29-14-15-5-8-17(24)9-6-15)22(28-2)19-13-26-23-18(19)4-3-11-25-23;1-26-21-12-16(11-17-13-25-22-19(17)3-2-10-24-22)6-9-20(21)27-14-15-4-7-18(23)8-5-15;1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11;1-11-8-4-6(5-9)2-3-7(8)10;8-5-6-1-3-7(9)4-2-6;1-2-6-3-5-9-7(6)8-4-1;;/h3-13,22H,14H2,1-2H3,(H,25,26);2-10,12-13H,11,14H2,1H3,(H,24,25);2-9H,10H2,1H3;2-5,10H,1H3;1-4H,5H2;1-5H,(H,8,9);2*1H4.

What are the key properties of 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine?

1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1572.32 g/mol, XLogP of 21.96, 21 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-4-chlorobenzene;4-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158769693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).