1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol

C15H15F2NO2 — CID 82823117

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(CC(O)c2c(F)ccc(C)c2F)cn1
InChIInChI=1S/C15H15F2NO2/c1-9-3-5-11(16)14(15(9)17)12(19)7-10-4-6-13(20-2)18-8-10/h3-6,8,12,19H,7H2,1-2H3
InChIKeyKFHSTUMQQURFGH-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol

1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 82823117) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
PubChem CID82823117
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(CC(O)c2c(F)ccc(C)c2F)cn1
InChIInChI=1S/C15H15F2NO2/c1-9-3-5-11(16)14(15(9)17)12(19)7-10-4-6-13(20-2)18-8-10/h3-6,8,12,19H,7H2,1-2H3
InChIKeyKFHSTUMQQURFGH-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82816292
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114727014
[1-(4-fluoro-2-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105250492
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
[1-(3,4-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105250580
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol (CID 82823117) is 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol is COc1ccc(CC(O)c2c(F)ccc(C)c2F)cn1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is KFHSTUMQQURFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-9-3-5-11(16)14(15(9)17)12(19)7-10-4-6-13(20-2)18-8-10/h3-6,8,12,19H,7H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol?
1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 279.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 82823117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).