2-fluoro-4-(5-octyl-2-pyridinyl)phenol

C19H24FNO — CID 2259235

IUPAC2-fluoro-4-(5-octyl-2-pyridinyl)phenol
SMILESCCCCCCCCc1ccc(-c2ccc(O)c(F)c2)nc1
InChIInChI=1S/C19H24FNO/c1-2-3-4-5-6-7-8-15-9-11-18(21-14-15)16-10-12-19(22)17(20)13-16/h9-14,22H,2-8H2,1H3
InChIKeyDOTLVJLGYNZTHV-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.50
Rot. Bonds8

About 2-fluoro-4-(5-octyl-2-pyridinyl)phenol

2-fluoro-4-(5-octyl-2-pyridinyl)phenol (PubChem CID 2259235) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-fluoro-4-(5-octyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(5-octyl-2-pyridinyl)phenol
PubChem CID2259235
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name2-fluoro-4-(5-octyl-2-pyridinyl)phenol
SMILESCCCCCCCCc1ccc(-c2ccc(O)c(F)c2)nc1
InChIInChI=1S/C19H24FNO/c1-2-3-4-5-6-7-8-15-9-11-18(21-14-15)16-10-12-19(22)17(20)13-16/h9-14,22H,2-8H2,1H3
InChIKeyDOTLVJLGYNZTHV-UHFFFAOYSA-N
XLogP5.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-octyl-2-pyridinyl)phenol?
The IUPAC name of 2-fluoro-4-(5-octyl-2-pyridinyl)phenol (CID 2259235) is 2-fluoro-4-(5-octyl-2-pyridinyl)phenol.
What is the SMILES notation for 2-fluoro-4-(5-octyl-2-pyridinyl)phenol?
The canonical SMILES for 2-fluoro-4-(5-octyl-2-pyridinyl)phenol is CCCCCCCCc1ccc(-c2ccc(O)c(F)c2)nc1.
What is the InChIKey of 2-fluoro-4-(5-octyl-2-pyridinyl)phenol?
The InChIKey is DOTLVJLGYNZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-2-3-4-5-6-7-8-15-9-11-18(21-14-15)16-10-12-19(22)17(20)13-16/h9-14,22H,2-8H2,1H3.
What are the key properties of 2-fluoro-4-(5-octyl-2-pyridinyl)phenol?
2-fluoro-4-(5-octyl-2-pyridinyl)phenol has a molecular weight of 301.41 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-octyl-2-pyridinyl)phenol is sourced from PubChem (CID 2259235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).