(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate

C15H23NO3 — CID 54190402

IUPAC(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate
SMILESCC(=O)OC(CCCO)CCCCc1ccccn1
InChIInChI=1S/C15H23NO3/c1-13(18)19-15(10-6-12-17)9-3-2-7-14-8-4-5-11-16-14/h4-5,8,11,15,17H,2-3,6-7,9-10,12H2,1H3
InChIKeyNYKVWCBRZKHUDN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds9

About (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate

(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate (PubChem CID 54190402) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate.

Molecular Properties

Compound Name(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate
PubChem CID54190402
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate
SMILESCC(=O)OC(CCCO)CCCCc1ccccn1
InChIInChI=1S/C15H23NO3/c1-13(18)19-15(10-6-12-17)9-3-2-7-14-8-4-5-11-16-14/h4-5,8,11,15,17H,2-3,6-7,9-10,12H2,1H3
InChIKeyNYKVWCBRZKHUDN-UHFFFAOYSA-N
XLogP2.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-pyridin-2-ylnonan-1-ol
CID 12680899
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-methoxy-4-pyridin-2-ylbutan-1-ol
CID 145217411
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685
2-(3-pyridin-2-ylpropylselanyl)ethanol
CID 20756418
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
6-pyridin-2-ylhexanoate
CID 7109691

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate?
The IUPAC name of (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate (CID 54190402) is (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate.
What is the SMILES notation for (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate?
The canonical SMILES for (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate is CC(=O)OC(CCCO)CCCCc1ccccn1.
What is the InChIKey of (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate?
The InChIKey is NYKVWCBRZKHUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(18)19-15(10-6-12-17)9-3-2-7-14-8-4-5-11-16-14/h4-5,8,11,15,17H,2-3,6-7,9-10,12H2,1H3.
What are the key properties of (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate?
(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate is sourced from PubChem (CID 54190402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).