3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride

C16H17Cl2NO — CID 3051557

IUPAC3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Cl)cc2)CNC(c2ccccc2)C1
InChIInChI=1S/C16H16ClNO.ClH/c17-14-8-6-13(7-9-14)16(19)10-15(18-11-16)12-4-2-1-3-5-12;/h1-9,15,18-19H,10-11H2;1H
InChIKeyCTGVXLHYDXDBTA-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.68
Rot. Bonds2

About 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride

3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051557) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride
PubChem CID3051557
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Cl)cc2)CNC(c2ccccc2)C1
InChIInChI=1S/C16H16ClNO.ClH/c17-14-8-6-13(7-9-14)16(19)10-15(18-11-16)12-4-2-1-3-5-12;/h1-9,15,18-19H,10-11H2;1H
InChIKeyCTGVXLHYDXDBTA-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride (CID 3051557) is 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride is Cl.OC1(c2ccc(Cl)cc2)CNC(c2ccccc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride?
The InChIKey is CTGVXLHYDXDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO.ClH/c17-14-8-6-13(7-9-14)16(19)10-15(18-11-16)12-4-2-1-3-5-12;/h1-9,15,18-19H,10-11H2;1H.
What are the key properties of 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride?
3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride has a molecular weight of 310.22 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-phenylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).