3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol

C15H14F3NO2 — CID 105092807

IUPAC3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
SMILESOC(CCc1ccncc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-14-4-2-1-3-12(14)13(20)6-5-11-7-9-19-10-8-11/h1-4,7-10,13,20H,5-6H2
InChIKeyHWRXSOHROHRNDI-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.65
Rot. Bonds5

About 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol

3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 105092807) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID105092807
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
SMILESOC(CCc1ccncc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-14-4-2-1-3-12(14)13(20)6-5-11-7-9-19-10-8-11/h1-4,7-10,13,20H,5-6H2
InChIKeyHWRXSOHROHRNDI-UHFFFAOYSA-N
XLogP3.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
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1-(5-fluoro-2-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
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1-[2-(trifluoromethoxy)phenyl]hex-4-yn-1-ol
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3-methylsulfonyl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
CID 65148158
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
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1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
3-pyridin-4-yl-1-quinolin-8-ylpropan-1-ol
CID 105118771
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
[1-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105326176

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol (CID 105092807) is 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol is OC(CCc1ccncc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is HWRXSOHROHRNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)21-14-4-2-1-3-12(14)13(20)6-5-11-7-9-19-10-8-11/h1-4,7-10,13,20H,5-6H2.
What are the key properties of 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol?
3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 297.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 105092807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).