[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C21H28FNO2 — CID 22005217

IUPAC[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCOC(C)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C21H28FNO2/c1-12(2)20-17(11-24)19(15-7-9-16(22)10-8-15)18(14(5)25-6)21(23-20)13(3)4/h7-10,12-14,24H,11H2,1-6H3
InChIKeyVHPGHMFHQJBRKZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP5.33
Rot. Bonds6

About [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005217) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005217
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC Name[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCOC(C)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C21H28FNO2/c1-12(2)20-17(11-24)19(15-7-9-16(22)10-8-15)18(14(5)25-6)21(23-20)13(3)4/h7-10,12-14,24H,11H2,1-6H3
InChIKeyVHPGHMFHQJBRKZ-UHFFFAOYSA-N
XLogP5.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)-5-methoxy-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 53407193
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)-3-pyridinyl]methanol
CID 11645697
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54492594
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004961
[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 20647537
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol
CID 20647521
[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54316367
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
2-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 23062198

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005217) is [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is COC(C)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is VHPGHMFHQJBRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-12(2)20-17(11-24)19(15-7-9-16(22)10-8-15)18(14(5)25-6)21(23-20)13(3)4/h7-10,12-14,24H,11H2,1-6H3.
What are the key properties of [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 345.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).