4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine

C21H19Cl2NO — CID 68731862

IUPAC4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine
SMILESCC(Cc1ccnc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15(19-8-7-18(22)13-20(19)23)11-17-9-10-24-21(12-17)25-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3
InChIKeySZXIOCMXHGPKDX-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.31
Rot. Bonds6

About 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine

4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine (PubChem CID 68731862) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine
PubChem CID68731862
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine
SMILESCC(Cc1ccnc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15(19-8-7-18(22)13-20(19)23)11-17-9-10-24-21(12-17)25-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3
InChIKeySZXIOCMXHGPKDX-UHFFFAOYSA-N
XLogP6.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1H-pyridin-2-one;3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(2-phenylmethoxy-4-pyridinyl)butan-2-ol
CID 159137685
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine
CID 91230808
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
tributyl-(2-phenylmethoxy-4-pyridinyl)stannane
CID 11554668
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
2-chloro-1-[1-(4-ethyl-3-propan-2-ylphenyl)propan-2-yl]-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 146252989
4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene
CID 155474826
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
2-fluoro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 60539439

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine (CID 68731862) is 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine is CC(Cc1ccnc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine?
The InChIKey is SZXIOCMXHGPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15(19-8-7-18(22)13-20(19)23)11-17-9-10-24-21(12-17)25-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3.
What are the key properties of 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine?
4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine has a molecular weight of 372.30 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine is sourced from PubChem (CID 68731862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).