[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol

C16H18FNO2 — CID 105383274

IUPAC[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
SMILESCCC(C)c1ccccc1Oc1nccc(CO)c1F
InChIInChI=1S/C16H18FNO2/c1-3-11(2)13-6-4-5-7-14(13)20-16-15(17)12(10-19)8-9-18-16/h4-9,11,19H,3,10H2,1-2H3
InChIKeyCGUBPVSKZJQVGE-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.02
Rot. Bonds5

About [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol

[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol (PubChem CID 105383274) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
PubChem CID105383274
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
SMILESCCC(C)c1ccccc1Oc1nccc(CO)c1F
InChIInChI=1S/C16H18FNO2/c1-3-11(2)13-6-4-5-7-14(13)20-16-15(17)12(10-19)8-9-18-16/h4-9,11,19H,3,10H2,1-2H3
InChIKeyCGUBPVSKZJQVGE-UHFFFAOYSA-N
XLogP4.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383273
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
CID 105383241
[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 63078112
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058864
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139
[3-fluoro-2-(2,3,5-trimethylphenoxy)-4-pyridinyl]methanol
CID 105383279
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276
(1R)-1-[2-(2-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 63534177

Frequently Asked Questions

What is the IUPAC name of [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol (CID 105383274) is [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol is CCC(C)c1ccccc1Oc1nccc(CO)c1F.
What is the InChIKey of [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol?
The InChIKey is CGUBPVSKZJQVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-11(2)13-6-4-5-7-14(13)20-16-15(17)12(10-19)8-9-18-16/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol?
[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol has a molecular weight of 275.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 105383274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).