[5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C20H24FNO — CID 22004897

IUPAC[5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESC=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H24FNO/c1-6-16-18(14-7-9-15(21)10-8-14)17(11-23)20(13(4)5)22-19(16)12(2)3/h6-10,12-13,23H,1,11H2,2-5H3
InChIKeyZFZPEIBRJAXQGX-UHFFFAOYSA-N
MW313.42 g/mol
LogP5.27
Rot. Bonds5

About [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22004897) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22004897
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name[5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESC=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H24FNO/c1-6-16-18(14-7-9-15(21)10-8-14)17(11-23)20(13(4)5)22-19(16)12(2)3/h6-10,12-13,23H,1,11H2,2-5H3
InChIKeyZFZPEIBRJAXQGX-UHFFFAOYSA-N
XLogP5.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22004897) is [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is C=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is ZFZPEIBRJAXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-6-16-18(14-7-9-15(21)10-8-14)17(11-23)20(13(4)5)22-19(16)12(2)3/h6-10,12-13,23H,1,11H2,2-5H3.
What are the key properties of [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 313.42 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethenyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22004897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).