1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine

C31H28ClNO2 — CID 70005826

IUPAC1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine
SMILESCOc1ccc2c(Cc3ccc(OCCN4C=CC=CC4)cc3)c(-c3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C31H28ClNO2/c1-34-28-13-15-30-25(22-28)10-14-29(24-6-5-7-26(32)21-24)31(30)20-23-8-11-27(12-9-23)35-19-18-33-16-3-2-4-17-33/h2-16,21-22H,17-20H2,1H3
InChIKeyJLVVGQRSVMVUJD-UHFFFAOYSA-N
MW482.02 g/mol
LogP7.52
Rot. Bonds8

About 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine

1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine (PubChem CID 70005826) has the molecular formula C31H28ClNO2 and a molecular weight of 482.02 g/mol. Its IUPAC name is 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine.

Molecular Properties

Compound Name1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine
PubChem CID70005826
Molecular FormulaC31H28ClNO2
Molecular Weight482.02 g/mol
Exact Mass481.18
IUPAC Name1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine
SMILESCOc1ccc2c(Cc3ccc(OCCN4C=CC=CC4)cc3)c(-c3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C31H28ClNO2/c1-34-28-13-15-30-25(22-28)10-14-29(24-6-5-7-26(32)21-24)31(30)20-23-8-11-27(12-9-23)35-19-18-33-16-3-2-4-17-33/h2-16,21-22H,17-20H2,1H3
InChIKeyJLVVGQRSVMVUJD-UHFFFAOYSA-N
XLogP7.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine with MolForge

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Related Compounds

2-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]-N,N-dimethyl-ethanamine
CID 3011964
2-Chloro-9,10-bis(4-ethoxyphenyl)anthracene
CID 21715448
N,N-diethyl-2-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]ethanamine
CID 3011965
2-[4-[9-anthryl-(4-methoxyphenyl)methyl]phenoxy]-N,N-dimethyl-ethanamine
CID 16125076
2-[(1-benzhydryl-2-naphthyl)oxy]-N,N-diethyl-ethanamine
CID 44443455
2-[(4-benzhydryl-1-naphthyl)oxy]-N,N-diethyl-ethanamine
CID 44443461
2-[[1-[(4-chlorophenyl)-phenyl-methyl]-2-naphthyl]oxy]-N,N-dimethyl-ethanamine
CID 44443466
2-[[1-[(4-chlorophenyl)-phenyl-methyl]-2-naphthyl]oxy]-N,N-diethyl-ethanamine
CID 44443467
1-[2-[[1-[(4-Chlorophenyl)-phenyl-methyl]-2-naphthyl]oxy]ethyl]pyrrolidine
CID 44443468
1-[2-[[1-[(4-Chlorophenyl)-phenyl-methyl]-2-naphthyl]oxy]ethyl]piperidine
CID 44443469
1-[2-[[1-[(4-Chlorophenyl)-phenyl-methyl]-2-naphthyl]oxy]ethyl]azepane
CID 44443470
2-[[4-[(4-chlorophenyl)-phenyl-methyl]-1-naphthyl]oxy]-N,N-dimethyl-ethanamine
CID 44443471

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine?
The IUPAC name of 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine (CID 70005826) is 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine.
What is the SMILES notation for 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine?
The canonical SMILES for 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine is COc1ccc2c(Cc3ccc(OCCN4C=CC=CC4)cc3)c(-c3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine?
The InChIKey is JLVVGQRSVMVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClNO2/c1-34-28-13-15-30-25(22-28)10-14-29(24-6-5-7-26(32)21-24)31(30)20-23-8-11-27(12-9-23)35-19-18-33-16-3-2-4-17-33/h2-16,21-22H,17-20H2,1H3.
What are the key properties of 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine?
1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine has a molecular weight of 482.02 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine is sourced from PubChem (CID 70005826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).