1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol

C17H20FNO3 — CID 91319791

IUPAC1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1cc(-c2ccc(CO)cc2C(O)C(C)C)c(F)cn1
InChIInChI=1S/C17H20FNO3/c1-10(2)17(21)14-6-11(9-20)4-5-12(14)13-7-16(22-3)19-8-15(13)18/h4-8,10,17,20-21H,9H2,1-3H3
InChIKeyOCZHIACSCBXLPL-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol

1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 91319791) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol
PubChem CID91319791
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1cc(-c2ccc(CO)cc2C(O)C(C)C)c(F)cn1
InChIInChI=1S/C17H20FNO3/c1-10(2)17(21)14-6-11(9-20)4-5-12(14)13-7-16(22-3)19-8-15(13)18/h4-8,10,17,20-21H,9H2,1-3H3
InChIKeyOCZHIACSCBXLPL-UHFFFAOYSA-N
XLogP3.08
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol (CID 91319791) is 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol is COc1cc(-c2ccc(CO)cc2C(O)C(C)C)c(F)cn1.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is OCZHIACSCBXLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-10(2)17(21)14-6-11(9-20)4-5-12(14)13-7-16(22-3)19-8-15(13)18/h4-8,10,17,20-21H,9H2,1-3H3.
What are the key properties of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol?
1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 305.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 91319791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).