[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol

C13H18FNO2 — CID 114084546

IUPAC[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol
SMILESOCC1CCC(OCc2cncc(F)c2)CC1
InChIInChI=1S/C13H18FNO2/c14-12-5-11(6-15-7-12)9-17-13-3-1-10(8-16)2-4-13/h5-7,10,13,16H,1-4,8-9H2
InChIKeyIPQNXKZRWIVYOW-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.29
Rot. Bonds4

About [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol

[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol (PubChem CID 114084546) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol
PubChem CID114084546
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol
SMILESOCC1CCC(OCc2cncc(F)c2)CC1
InChIInChI=1S/C13H18FNO2/c14-12-5-11(6-15-7-12)9-17-13-3-1-10(8-16)2-4-13/h5-7,10,13,16H,1-4,8-9H2
InChIKeyIPQNXKZRWIVYOW-UHFFFAOYSA-N
XLogP2.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile
CID 107882683
[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol
CID 106825329
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
CID 106825421
[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
methyl 4-[(5-bromo-3-pyridinyl)methoxy]cyclohexane-1-carboxylate
CID 114450840
[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanol
CID 106825219
[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 104799662
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexyl]methanol
CID 106825399
[4-[(6-methyl-2-pyridinyl)methoxy]cyclohexyl]methanol
CID 106825334
N-methyl-1-[3-[(5-methyl-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 102877286

Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol (CID 114084546) is [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol is OCC1CCC(OCc2cncc(F)c2)CC1.
What is the InChIKey of [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol?
The InChIKey is IPQNXKZRWIVYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-5-11(6-15-7-12)9-17-13-3-1-10(8-16)2-4-13/h5-7,10,13,16H,1-4,8-9H2.
What are the key properties of [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol?
[4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol has a molecular weight of 239.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-3-pyridinyl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 114084546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).