2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol

C22H28FNO — CID 122501515

IUPAC2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
SMILESCCC(C)(O)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H28FNO/c1-4-22(3,25)20-15-17(21(2)12-6-5-7-13-21)14-19(24-20)16-8-10-18(23)11-9-16/h8-11,14-15,25H,4-7,12-13H2,1-3H3
InChIKeyDNJDOKKIHPNLLV-UHFFFAOYSA-N
MW341.47 g/mol
LogP5.73
Rot. Bonds4

About 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol

2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol (PubChem CID 122501515) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
PubChem CID122501515
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
SMILESCCC(C)(O)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H28FNO/c1-4-22(3,25)20-15-17(21(2)12-6-5-7-13-21)14-19(24-20)16-8-10-18(23)11-9-16/h8-11,14-15,25H,4-7,12-13H2,1-3H3
InChIKeyDNJDOKKIHPNLLV-UHFFFAOYSA-N
XLogP5.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?
The IUPAC name of 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol (CID 122501515) is 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?
The canonical SMILES for 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol is CCC(C)(O)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?
The InChIKey is DNJDOKKIHPNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-4-22(3,25)20-15-17(21(2)12-6-5-7-13-21)14-19(24-20)16-8-10-18(23)11-9-16/h8-11,14-15,25H,4-7,12-13H2,1-3H3.
What are the key properties of 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?
2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol has a molecular weight of 341.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 122501515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).