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

C18H22FNO2 — CID 135827543

IUPAC3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
SMILESCCCCCCCOc1ccc(-c2ccc(O)cc2F)nc1
InChIInChI=1S/C18H22FNO2/c1-2-3-4-5-6-11-22-15-8-10-18(20-13-15)16-9-7-14(21)12-17(16)19/h7-10,12-13,21H,2-6,11H2,1H3
InChIKeyPSTKAIBZGMTMAZ-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.94
Rot. Bonds8

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

3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol (PubChem CID 135827543) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
PubChem CID135827543
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
SMILESCCCCCCCOc1ccc(-c2ccc(O)cc2F)nc1
InChIInChI=1S/C18H22FNO2/c1-2-3-4-5-6-11-22-15-8-10-18(20-13-15)16-9-7-14(21)12-17(16)19/h7-10,12-13,21H,2-6,11H2,1H3
InChIKeyPSTKAIBZGMTMAZ-UHFFFAOYSA-N
XLogP4.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.94
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

3-fluoro-4-(4-octoxyphenyl)phenol
CID 19430943
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol
CID 173288698

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol?
The IUPAC name of 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol (CID 135827543) is 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol.
What is the SMILES notation for 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol?
The canonical SMILES for 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol is CCCCCCCOc1ccc(-c2ccc(O)cc2F)nc1.
What is the InChIKey of 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol?
The InChIKey is PSTKAIBZGMTMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-3-4-5-6-11-22-15-8-10-18(20-13-15)16-9-7-14(21)12-17(16)19/h7-10,12-13,21H,2-6,11H2,1H3.
What are the key properties of 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol?
3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol has a molecular weight of 303.38 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135827543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).