(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol

C14H22FNO2 — CID 114034696

IUPAC(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
SMILESCCCCCCC(C)Oc1ncc(F)cc1CO
InChIInChI=1S/C14H22FNO2/c1-3-4-5-6-7-11(2)18-14-12(10-17)8-13(15)9-16-14/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyLOQHJMDKESITNO-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.45
Rot. Bonds8

About (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol

(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol (PubChem CID 114034696) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
PubChem CID114034696
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
SMILESCCCCCCC(C)Oc1ncc(F)cc1CO
InChIInChI=1S/C14H22FNO2/c1-3-4-5-6-7-11(2)18-14-12(10-17)8-13(15)9-16-14/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyLOQHJMDKESITNO-UHFFFAOYSA-N
XLogP3.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
4-(chloromethyl)-1-octan-2-yloxyisoquinoline
CID 106769438
5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
CID 43127392
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine
CID 114073694
3-octan-2-yloxypyrazine-2-carboxylic acid
CID 55107810
5-iodo-2-octan-2-yloxypyrimidine
CID 116649161
4-chloro-5-methyl-6-octan-2-yloxypyrimidine
CID 55231392
2,6-difluoro-4-octan-2-yloxybenzoic acid
CID 123753531
2-decoxy-5-fluoropyridine-3-carboxylic acid
CID 172846926
decan-2-yloxybenzene
CID 12838331
N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
CID 80861672

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol (CID 114034696) is (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol is CCCCCCC(C)Oc1ncc(F)cc1CO.
What is the InChIKey of (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is LOQHJMDKESITNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-4-5-6-7-11(2)18-14-12(10-17)8-13(15)9-16-14/h8-9,11,17H,3-7,10H2,1-2H3.
What are the key properties of (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol?
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 255.33 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 114034696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).