1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol

C15H16FNO — CID 54966036

IUPAC1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1cncc(F)c1
InChIInChI=1S/C15H16FNO/c1-2-8-15(18,12-6-4-3-5-7-12)13-9-14(16)11-17-10-13/h3-7,9-11,18H,2,8H2,1H3
InChIKeyIRTWFOYRGVEOQP-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol

1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol (PubChem CID 54966036) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
PubChem CID54966036
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)c1cncc(F)c1
InChIInChI=1S/C15H16FNO/c1-2-8-15(18,12-6-4-3-5-7-12)13-9-14(16)11-17-10-13/h3-7,9-11,18H,2,8H2,1H3
InChIKeyIRTWFOYRGVEOQP-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol (CID 54966036) is 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol?
The InChIKey is IRTWFOYRGVEOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-8-15(18,12-6-4-3-5-7-12)13-9-14(16)11-17-10-13/h3-7,9-11,18H,2,8H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol?
1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol has a molecular weight of 245.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 54966036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).