(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate

C24H24FNO2 — CID 54381935

IUPAC(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate
SMILESCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCC)cc3F)cc2)nc1
InChIInChI=1S/C24H24FNO2/c1-3-5-17-8-14-23(21(25)15-17)28-24(27)20-11-9-19(10-12-20)22-13-7-18(6-4-2)16-26-22/h7-16H,3-6H2,1-2H3
InChIKeyVANDBOCQFBVGNG-UHFFFAOYSA-N
MW377.46 g/mol
LogP6.01
Rot. Bonds7

About (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate

(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate (PubChem CID 54381935) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate.

Molecular Properties

Compound Name(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate
PubChem CID54381935
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate
SMILESCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCC)cc3F)cc2)nc1
InChIInChI=1S/C24H24FNO2/c1-3-5-17-8-14-23(21(25)15-17)28-24(27)20-11-9-19(10-12-20)22-13-7-18(6-4-2)16-26-22/h7-16H,3-6H2,1-2H3
InChIKeyVANDBOCQFBVGNG-UHFFFAOYSA-N
XLogP6.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-butyl-2-fluorophenyl) 4-(5-propylpyrazin-2-yl)benzoate
CID 54081686
[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate
CID 19859398
(4-decyl-2-fluorophenyl) 4-(5-pentylpyrimidin-2-yl)benzoate
CID 54177207
(2-fluoro-4-nonylphenyl) 4-(5-nonylpyrimidin-2-yl)benzoate
CID 54128487
(4-decyl-2-fluorophenyl) 4-(5-butylpyrimidin-2-yl)benzoate
CID 54063656
[4-(5-propyl-2-pyridinyl)phenyl] 4-butoxybenzoate
CID 5027544
(1-bromonaphthalen-2-yl) 4-(5-propyl-2-pyridinyl)benzoate
CID 23732375
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
(2,4-difluorophenyl) 4-propylbenzoate
CID 23391163
(4-ethyl-2-fluorophenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate;(2-fluoro-4-propylphenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate
CID 88595180
(2-fluoro-4-nonylphenyl) 4-(3-fluoro-4-heptoxyphenyl)benzoate
CID 57225673
(2-fluoro-4-pentylphenyl) 4-(3-fluoro-4-hexoxyphenyl)benzoate
CID 57135080

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate?
The IUPAC name of (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate (CID 54381935) is (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate.
What is the SMILES notation for (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate?
The canonical SMILES for (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate is CCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCC)cc3F)cc2)nc1.
What is the InChIKey of (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate?
The InChIKey is VANDBOCQFBVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-3-5-17-8-14-23(21(25)15-17)28-24(27)20-11-9-19(10-12-20)22-13-7-18(6-4-2)16-26-22/h7-16H,3-6H2,1-2H3.
What are the key properties of (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate?
(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate has a molecular weight of 377.46 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate is sourced from PubChem (CID 54381935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).