[5-(4-phenylbutoxy)-2-pyridinyl]methanol

C16H19NO2 — CID 114333938

IUPAC[5-(4-phenylbutoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCCCCc2ccccc2)cn1
InChIInChI=1S/C16H19NO2/c18-13-15-9-10-16(12-17-15)19-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2
InChIKeyJCEGOMJZBGTAAJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.98
Rot. Bonds7

About [5-(4-phenylbutoxy)-2-pyridinyl]methanol

[5-(4-phenylbutoxy)-2-pyridinyl]methanol (PubChem CID 114333938) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [5-(4-phenylbutoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-phenylbutoxy)-2-pyridinyl]methanol
PubChem CID114333938
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[5-(4-phenylbutoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCCCCc2ccccc2)cn1
InChIInChI=1S/C16H19NO2/c18-13-15-9-10-16(12-17-15)19-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2
InChIKeyJCEGOMJZBGTAAJ-UHFFFAOYSA-N
XLogP2.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.98
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-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
CID 79794446
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
5-(3-phenylpropoxy)pyridine-2-carbonitrile
CID 113320705
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
CID 21221229
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443

Frequently Asked Questions

What is the IUPAC name of [5-(4-phenylbutoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(4-phenylbutoxy)-2-pyridinyl]methanol (CID 114333938) is [5-(4-phenylbutoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(4-phenylbutoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(4-phenylbutoxy)-2-pyridinyl]methanol is OCc1ccc(OCCCCc2ccccc2)cn1.
What is the InChIKey of [5-(4-phenylbutoxy)-2-pyridinyl]methanol?
The InChIKey is JCEGOMJZBGTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-13-15-9-10-16(12-17-15)19-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2.
What are the key properties of [5-(4-phenylbutoxy)-2-pyridinyl]methanol?
[5-(4-phenylbutoxy)-2-pyridinyl]methanol has a molecular weight of 257.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenylbutoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 114333938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).