5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine

C24H26ClNO3 — CID 66994791

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(OC)cc2Cl)cn1
InChIInChI=1S/C24H26ClNO3/c1-5-16-8-7-9-17(6-2)24(16)21-13-23(28-4)18(14-26-21)15-29-22-11-10-19(27-3)12-20(22)25/h7-14H,5-6,15H2,1-4H3
InChIKeyNEKOSJWKHZFSCN-UHFFFAOYSA-N
MW411.93 g/mol
LogP6.12
Rot. Bonds8

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine

5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (PubChem CID 66994791) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
PubChem CID66994791
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(OC)cc2Cl)cn1
InChIInChI=1S/C24H26ClNO3/c1-5-16-8-7-9-17(6-2)24(16)21-13-23(28-4)18(14-26-21)15-29-22-11-10-19(27-3)12-20(22)25/h7-14H,5-6,15H2,1-4H3
InChIKeyNEKOSJWKHZFSCN-UHFFFAOYSA-N
XLogP6.12
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994574
2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine
CID 66995241
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methanol
CID 66994306
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine
CID 67152657
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (CID 66994791) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(OC)cc2Cl)cn1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The InChIKey is NEKOSJWKHZFSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-5-16-8-7-9-17(6-2)24(16)21-13-23(28-4)18(14-26-21)15-29-22-11-10-19(27-3)12-20(22)25/h7-14H,5-6,15H2,1-4H3.
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine has a molecular weight of 411.93 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is sourced from PubChem (CID 66994791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).