3-fluoro-4-(5-heptyl-2-pyridinyl)phenol

C18H22FNO — CID 139691046

IUPAC3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
SMILESCCCCCCCc1ccc(-c2ccc(O)cc2F)nc1
InChIInChI=1S/C18H22FNO/c1-2-3-4-5-6-7-14-8-11-18(20-13-14)16-10-9-15(21)12-17(16)19/h8-13,21H,2-7H2,1H3
InChIKeyFBAFZHOUVDOEBW-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.11
Rot. Bonds7

About 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol

3-fluoro-4-(5-heptyl-2-pyridinyl)phenol (PubChem CID 139691046) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
PubChem CID139691046
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
SMILESCCCCCCCc1ccc(-c2ccc(O)cc2F)nc1
InChIInChI=1S/C18H22FNO/c1-2-3-4-5-6-7-14-8-11-18(20-13-14)16-10-9-15(21)12-17(16)19/h8-13,21H,2-7H2,1H3
InChIKeyFBAFZHOUVDOEBW-UHFFFAOYSA-N
XLogP5.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
CID 135827543
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
CID 162214367
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol?
The IUPAC name of 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol (CID 139691046) is 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol.
What is the SMILES notation for 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol?
The canonical SMILES for 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol is CCCCCCCc1ccc(-c2ccc(O)cc2F)nc1.
What is the InChIKey of 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol?
The InChIKey is FBAFZHOUVDOEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-4-5-6-7-14-8-11-18(20-13-14)16-10-9-15(21)12-17(16)19/h8-13,21H,2-7H2,1H3.
What are the key properties of 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol?
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol has a molecular weight of 287.38 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-heptyl-2-pyridinyl)phenol is sourced from PubChem (CID 139691046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).