7-pyridin-4-yloxyheptan-1-ol

C12H19NO2 — CID 46179485

IUPAC7-pyridin-4-yloxyheptan-1-ol
SMILESOCCCCCCCOc1ccncc1
InChIInChI=1S/C12H19NO2/c14-10-4-2-1-3-5-11-15-12-6-8-13-9-7-12/h6-9,14H,1-5,10-11H2
InChIKeyUCLVSUSQTCRCLI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.40
Rot. Bonds8

About 7-pyridin-4-yloxyheptan-1-ol

7-pyridin-4-yloxyheptan-1-ol (PubChem CID 46179485) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 7-pyridin-4-yloxyheptan-1-ol.

Molecular Properties

Compound Name7-pyridin-4-yloxyheptan-1-ol
PubChem CID46179485
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name7-pyridin-4-yloxyheptan-1-ol
SMILESOCCCCCCCOc1ccncc1
InChIInChI=1S/C12H19NO2/c14-10-4-2-1-3-5-11-15-12-6-8-13-9-7-12/h6-9,14H,1-5,10-11H2
InChIKeyUCLVSUSQTCRCLI-UHFFFAOYSA-N
XLogP2.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.40
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
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
7-phenoxyheptan-1-ol
CID 15856264
4-pentoxypyridine
CID 23560340
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yloxyheptan-1-ol?
The IUPAC name of 7-pyridin-4-yloxyheptan-1-ol (CID 46179485) is 7-pyridin-4-yloxyheptan-1-ol.
What is the SMILES notation for 7-pyridin-4-yloxyheptan-1-ol?
The canonical SMILES for 7-pyridin-4-yloxyheptan-1-ol is OCCCCCCCOc1ccncc1.
What is the InChIKey of 7-pyridin-4-yloxyheptan-1-ol?
The InChIKey is UCLVSUSQTCRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-4-2-1-3-5-11-15-12-6-8-13-9-7-12/h6-9,14H,1-5,10-11H2.
What are the key properties of 7-pyridin-4-yloxyheptan-1-ol?
7-pyridin-4-yloxyheptan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yloxyheptan-1-ol is sourced from PubChem (CID 46179485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).