[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride

C15H24ClNO2 — CID 78358370

IUPAC[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
SMILESCl.OCc1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2.ClH/c17-13-14-5-7-15(8-6-14)18-12-11-16-9-3-1-2-4-10-16;/h5-8,17H,1-4,9-13H2;1H
InChIKeyJSYLWPOYCPGSBJ-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.86
Rot. Bonds5

About [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride

[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride (PubChem CID 78358370) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
PubChem CID78358370
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
SMILESCl.OCc1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2.ClH/c17-13-14-5-7-15(8-6-14)18-12-11-16-9-3-1-2-4-10-16;/h5-8,17H,1-4,9-13H2;1H
InChIKeyJSYLWPOYCPGSBJ-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
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1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
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Frequently Asked Questions

What is the IUPAC name of [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride?
The IUPAC name of [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride (CID 78358370) is [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride.
What is the SMILES notation for [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride?
The canonical SMILES for [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride is Cl.OCc1ccc(OCCN2CCCCCC2)cc1.
What is the InChIKey of [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride?
The InChIKey is JSYLWPOYCPGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c17-13-14-5-7-15(8-6-14)18-12-11-16-9-3-1-2-4-10-16;/h5-8,17H,1-4,9-13H2;1H.
What are the key properties of [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride?
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride is sourced from PubChem (CID 78358370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).