[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol

C23H24FNO4S — CID 57018706

IUPAC[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
SMILESCCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO
InChIInChI=1S/C23H24FNO4S/c1-3-4-13-29-23-18(15-26)14-21(16-7-11-20(12-8-16)30(2,27)28)22(25-23)17-5-9-19(24)10-6-17/h5-12,14,26H,3-4,13,15H2,1-2H3
InChIKeySDUXEEOWHQUOQA-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.63
Rot. Bonds8

About [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol

[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol (PubChem CID 57018706) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
PubChem CID57018706
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
SMILESCCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO
InChIInChI=1S/C23H24FNO4S/c1-3-4-13-29-23-18(15-26)14-21(16-7-11-20(12-8-16)30(2,27)28)22(25-23)17-5-9-19(24)10-6-17/h5-12,14,26H,3-4,13,15H2,1-2H3
InChIKeySDUXEEOWHQUOQA-UHFFFAOYSA-N
XLogP4.63
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol (CID 57018706) is [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol is CCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO.
What is the InChIKey of [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The InChIKey is SDUXEEOWHQUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4S/c1-3-4-13-29-23-18(15-26)14-21(16-7-11-20(12-8-16)30(2,27)28)22(25-23)17-5-9-19(24)10-6-17/h5-12,14,26H,3-4,13,15H2,1-2H3.
What are the key properties of [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol has a molecular weight of 429.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 57018706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).