[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol

C18H22FNO3 — CID 54492594

IUPAC[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCOCc1c(OC)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-22-3)18(20-17)23-4/h5-8,11,21H,9-10H2,1-4H3
InChIKeyXWUAOWNGCRSSMZ-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.66
Rot. Bonds6

About [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol

[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 54492594) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID54492594
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCOCc1c(OC)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-22-3)18(20-17)23-4/h5-8,11,21H,9-10H2,1-4H3
InChIKeyXWUAOWNGCRSSMZ-UHFFFAOYSA-N
XLogP3.66
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)-3-pyridinyl]methanol
CID 11645697
[4-(4-fluorophenyl)-5-methoxy-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 53407193
[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005217
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004961
[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54316367
[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
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
2-[3-(aminomethyl)-4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]benzoic acid
CID 58992900

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol (CID 54492594) is [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol is COCc1c(OC)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is XWUAOWNGCRSSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-22-3)18(20-17)23-4/h5-8,11,21H,9-10H2,1-4H3.
What are the key properties of [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 319.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 54492594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).