4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol

C23H24ClNO2 — CID 69381377

IUPAC4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol
SMILESCCCCC(Oc1ccc(O)c(C)c1)c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24ClNO2/c1-3-4-8-23(27-19-13-14-22(26)16(2)15-19)21-7-5-6-20(25-21)17-9-11-18(24)12-10-17/h5-7,9-15,23,26H,3-4,8H2,1-2H3
InChIKeyXJHPFKZDSDSYDR-UHFFFAOYSA-N
MW381.90 g/mol
LogP6.73
Rot. Bonds7

About 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol

4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol (PubChem CID 69381377) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol.

Molecular Properties

Compound Name4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol
PubChem CID69381377
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol
SMILESCCCCC(Oc1ccc(O)c(C)c1)c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24ClNO2/c1-3-4-8-23(27-19-13-14-22(26)16(2)15-19)21-7-5-6-20(25-21)17-9-11-18(24)12-10-17/h5-7,9-15,23,26H,3-4,8H2,1-2H3
InChIKeyXJHPFKZDSDSYDR-UHFFFAOYSA-N
XLogP6.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1S)-1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenoxy]prop-1-en-2-ol
CID 89319108
[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]pentoxy]-2-methylphenyl] acetate
CID 90968659
3-[2-methyl-4-[1-[6-(4-prop-1-en-2-ylphenyl)-2-pyridinyl]pentoxy]phenoxy]prop-1-en-2-ol
CID 89319004
2-[2-methyl-4-[(1S)-1-[6-(4-prop-1-en-2-ylphenyl)-2-pyridinyl]pentoxy]phenoxy]acetic acid
CID 89319005
3-[2-methyl-4-[(1R)-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenyl]propanoic acid
CID 69211889
[4-[(1S)-1-(6-bromo-2-pyridinyl)pentoxy]-2-methylphenyl] butanoate
CID 91239317
3-[3-chloro-4-[(1S)-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenyl]propanoic acid
CID 10097163
2-[4-[1-[6-(4-cyanophenyl)-2-pyridinyl]pentoxy]-2-ethylphenoxy]acetic acid;2-[2-ethyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid
CID 160691882
3-[3-chloro-4-[(1R)-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenyl]prop-2-enoic acid
CID 69212718
2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid
CID 58629810
3-[3,5-dimethoxy-4-[(1R)-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenyl]propanoic acid
CID 69207958
2-(1-butoxypentyl)-6-phenylpyridine;2-(1-methoxy-2-methylpropyl)-6-phenylpyridine;2-(1-methoxypentyl)-6-phenylpyridine
CID 158629646

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol?
The IUPAC name of 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol (CID 69381377) is 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol.
What is the SMILES notation for 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol?
The canonical SMILES for 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol is CCCCC(Oc1ccc(O)c(C)c1)c1cccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol?
The InChIKey is XJHPFKZDSDSYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-3-4-8-23(27-19-13-14-22(26)16(2)15-19)21-7-5-6-20(25-21)17-9-11-18(24)12-10-17/h5-7,9-15,23,26H,3-4,8H2,1-2H3.
What are the key properties of 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol?
4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol has a molecular weight of 381.90 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenol is sourced from PubChem (CID 69381377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).