1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C19H24ClNO2 — CID 16798627

IUPAC1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccc(-c2ccccc2)cc1)CN1CCCC1
InChIInChI=1S/C19H23NO2.ClH/c21-18(14-20-12-4-5-13-20)15-22-19-10-8-17(9-11-19)16-6-2-1-3-7-16;/h1-3,6-11,18,21H,4-5,12-15H2;1H
InChIKeyQHAIGUSHEMNOSI-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 16798627) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID16798627
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccc(-c2ccccc2)cc1)CN1CCCC1
InChIInChI=1S/C19H23NO2.ClH/c21-18(14-20-12-4-5-13-20)15-22-19-10-8-17(9-11-19)16-6-2-1-3-7-16;/h1-3,6-11,18,21H,4-5,12-15H2;1H
InChIKeyQHAIGUSHEMNOSI-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 16798627) is 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(COc1ccc(-c2ccccc2)cc1)CN1CCCC1.
What is the InChIKey of 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is QHAIGUSHEMNOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c21-18(14-20-12-4-5-13-20)15-22-19-10-8-17(9-11-19)16-6-2-1-3-7-16;/h1-3,6-11,18,21H,4-5,12-15H2;1H.
What are the key properties of 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 16798627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).