6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid

C23H22ClNO3 — CID 10386030

IUPAC6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C23H22ClNO3/c24-20-12-7-6-11-19(20)18-15-21(17-9-3-1-4-10-17)25-22(16-18)28-14-8-2-5-13-23(26)27/h1,3-4,6-7,9-12,15-16H,2,5,8,13-14H2,(H,26,27)
InChIKeyHHLWAWRHPDQPLH-UHFFFAOYSA-N
MW395.89 g/mol
LogP6.09
Rot. Bonds9

About 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid

6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10386030) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10386030
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C23H22ClNO3/c24-20-12-7-6-11-19(20)18-15-21(17-9-3-1-4-10-17)25-22(16-18)28-14-8-2-5-13-23(26)27/h1,3-4,6-7,9-12,15-16H,2,5,8,13-14H2,(H,26,27)
InChIKeyHHLWAWRHPDQPLH-UHFFFAOYSA-N
XLogP6.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Picoxystrobin metabolite 2
CID 139597010
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[6-(2-Chloro-phenyl)-4-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 9978895
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
6-[4-(4-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10001576
6-[(4-Phenyl-2-quinolyl)oxy]hexanoic acid
CID 10019853
6-{[4-(4-Aminophenyl)-6-phenyl-2-pyridyl]oxy}hexanoic acid
CID 10022413
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244
6-[4-(4-Dimethylamino-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10024190
6-[4-(4-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10046878
6-[4-(3-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10047140
6-[4-(4-Chloro-phenyl)-quinolin-2-yloxy]-2,2-dimethyl-hexanoic acid
CID 10069416

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10386030) is 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is HHLWAWRHPDQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c24-20-12-7-6-11-19(20)18-15-21(17-9-3-1-4-10-17)25-22(16-18)28-14-8-2-5-13-23(26)27/h1,3-4,6-7,9-12,15-16H,2,5,8,13-14H2,(H,26,27).
What are the key properties of 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 395.89 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10386030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).