6-(4-pyridin-4-ylphenoxy)hexan-1-ol

C17H21NO2 — CID 67931707

IUPAC6-(4-pyridin-4-ylphenoxy)hexan-1-ol
SMILESOCCCCCCOc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C17H21NO2/c19-13-3-1-2-4-14-20-17-7-5-15(6-8-17)16-9-11-18-12-10-16/h5-12,19H,1-4,13-14H2
InChIKeyWTGPAZJAGSHGRV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.68
Rot. Bonds8

About 6-(4-pyridin-4-ylphenoxy)hexan-1-ol

6-(4-pyridin-4-ylphenoxy)hexan-1-ol (PubChem CID 67931707) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-pyridin-4-ylphenoxy)hexan-1-ol
PubChem CID67931707
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name6-(4-pyridin-4-ylphenoxy)hexan-1-ol
SMILESOCCCCCCOc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C17H21NO2/c19-13-3-1-2-4-14-20-17-7-5-15(6-8-17)16-9-11-18-12-10-16/h5-12,19H,1-4,13-14H2
InChIKeyWTGPAZJAGSHGRV-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.68
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-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 10394898
6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol
CID 145339754
[4-(11-hydroxyundecoxy)phenyl] 4-[4-(11-hydroxyundecoxy)phenyl]benzoate
CID 67639962
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-ylphenoxy)hexan-1-ol?
The IUPAC name of 6-(4-pyridin-4-ylphenoxy)hexan-1-ol (CID 67931707) is 6-(4-pyridin-4-ylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-pyridin-4-ylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-pyridin-4-ylphenoxy)hexan-1-ol is OCCCCCCOc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 6-(4-pyridin-4-ylphenoxy)hexan-1-ol?
The InChIKey is WTGPAZJAGSHGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-13-3-1-2-4-14-20-17-7-5-15(6-8-17)16-9-11-18-12-10-16/h5-12,19H,1-4,13-14H2.
What are the key properties of 6-(4-pyridin-4-ylphenoxy)hexan-1-ol?
6-(4-pyridin-4-ylphenoxy)hexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-ylphenoxy)hexan-1-ol is sourced from PubChem (CID 67931707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).