1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol

C15H15F2NO2 — CID 66460527

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(OC(F)F)c2)nc1
InChIInChI=1S/C15H15F2NO2/c1-10-5-6-12(18-9-10)8-14(19)11-3-2-4-13(7-11)20-15(16)17/h2-7,9,14-15,19H,8H2,1H3
InChIKeyAAYZZKDGMWKBRC-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.27
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol

1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 66460527) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID66460527
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(OC(F)F)c2)nc1
InChIInChI=1S/C15H15F2NO2/c1-10-5-6-12(18-9-10)8-14(19)11-3-2-4-13(7-11)20-15(16)17/h2-7,9,14-15,19H,8H2,1H3
InChIKeyAAYZZKDGMWKBRC-UHFFFAOYSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
CID 104801712
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
1-(furan-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461533

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol (CID 66460527) is 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(CC(O)c2cccc(OC(F)F)c2)nc1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is AAYZZKDGMWKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-10-5-6-12(18-9-10)8-14(19)11-3-2-4-13(7-11)20-15(16)17/h2-7,9,14-15,19H,8H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol?
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 279.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66460527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).