5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol

C15H23NO2 — CID 79603067

IUPAC5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1ccc(N2CCCCCCC2)cc1O
InChIInChI=1S/C15H23NO2/c1-12(17)14-8-7-13(11-15(14)18)16-9-5-3-2-4-6-10-16/h7-8,11-12,17-18H,2-6,9-10H2,1H3
InChIKeyHBNAUUBFRSHPKU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.22
Rot. Bonds2

About 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol

5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol (PubChem CID 79603067) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
PubChem CID79603067
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1ccc(N2CCCCCCC2)cc1O
InChIInChI=1S/C15H23NO2/c1-12(17)14-8-7-13(11-15(14)18)16-9-5-3-2-4-6-10-16/h7-8,11-12,17-18H,2-6,9-10H2,1H3
InChIKeyHBNAUUBFRSHPKU-UHFFFAOYSA-N
XLogP3.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol?
The IUPAC name of 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol (CID 79603067) is 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol is CC(O)c1ccc(N2CCCCCCC2)cc1O.
What is the InChIKey of 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol?
The InChIKey is HBNAUUBFRSHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(17)14-8-7-13(11-15(14)18)16-9-5-3-2-4-6-10-16/h7-8,11-12,17-18H,2-6,9-10H2,1H3.
What are the key properties of 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol?
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol has a molecular weight of 249.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 79603067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).