4-pentyl-3-phenoxypyridine

C16H19NO — CID 173046751

IUPAC4-pentyl-3-phenoxypyridine
SMILESCCCCCc1ccncc1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-2-3-5-8-14-11-12-17-13-16(14)18-15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyLRXAJOWDUNDETR-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.61
Rot. Bonds6

About 4-pentyl-3-phenoxypyridine

4-pentyl-3-phenoxypyridine (PubChem CID 173046751) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-pentyl-3-phenoxypyridine.

Molecular Properties

Compound Name4-pentyl-3-phenoxypyridine
PubChem CID173046751
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-pentyl-3-phenoxypyridine
SMILESCCCCCc1ccncc1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-2-3-5-8-14-11-12-17-13-16(14)18-15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyLRXAJOWDUNDETR-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentadecyl-2-phenoxybenzene
CID 101290758
3-methoxy-4-pentylpyridine
CID 170214218
2-pentyl-3-phenoxypyridine
CID 173046802
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
4-hexylpyridine-3-carboxylic acid
CID 54526352
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
4-heptyl-3-methylpyridine
CID 143666243
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-3-phenoxypyridine?
The IUPAC name of 4-pentyl-3-phenoxypyridine (CID 173046751) is 4-pentyl-3-phenoxypyridine.
What is the SMILES notation for 4-pentyl-3-phenoxypyridine?
The canonical SMILES for 4-pentyl-3-phenoxypyridine is CCCCCc1ccncc1Oc1ccccc1.
What is the InChIKey of 4-pentyl-3-phenoxypyridine?
The InChIKey is LRXAJOWDUNDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-5-8-14-11-12-17-13-16(14)18-15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3.
What are the key properties of 4-pentyl-3-phenoxypyridine?
4-pentyl-3-phenoxypyridine has a molecular weight of 241.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-3-phenoxypyridine is sourced from PubChem (CID 173046751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).