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

C20H26FNO2 — CID 18926938

IUPAC[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCOCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H26FNO2/c1-12(2)19-16(10-23)18(14-6-8-15(21)9-7-14)17(11-24-5)20(22-19)13(3)4/h6-9,12-13,23H,10-11H2,1-5H3
InChIKeyAIDFFEQVXJRKCP-UHFFFAOYSA-N
MW331.43 g/mol
LogP4.77
Rot. Bonds6

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

[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 18926938) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID18926938
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCOCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H26FNO2/c1-12(2)19-16(10-23)18(14-6-8-15(21)9-7-14)17(11-24-5)20(22-19)13(3)4/h6-9,12-13,23H,10-11H2,1-5H3
InChIKeyAIDFFEQVXJRKCP-UHFFFAOYSA-N
XLogP4.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 18926938) is [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is COCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is AIDFFEQVXJRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-12(2)19-16(10-23)18(14-6-8-15(21)9-7-14)17(11-24-5)20(22-19)13(3)4/h6-9,12-13,23H,10-11H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 331.43 g/mol, XLogP of 4.77, 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-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 18926938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).