phenyl-(1-phenylpyrrolidin-2-yl)methanol

C17H19NO — CID 164523197

IUPACphenyl-(1-phenylpyrrolidin-2-yl)methanol
SMILESOC(c1ccccc1)C1CCCN1c1ccccc1
InChIInChI=1S/C17H19NO/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16)15-10-5-2-6-11-15/h1-6,8-11,16-17,19H,7,12-13H2
InChIKeyVGCPBBAFGHGLMC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.39
Rot. Bonds3

About phenyl-(1-phenylpyrrolidin-2-yl)methanol

phenyl-(1-phenylpyrrolidin-2-yl)methanol (PubChem CID 164523197) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is phenyl-(1-phenylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-phenylpyrrolidin-2-yl)methanol
PubChem CID164523197
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Namephenyl-(1-phenylpyrrolidin-2-yl)methanol
SMILESOC(c1ccccc1)C1CCCN1c1ccccc1
InChIInChI=1S/C17H19NO/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16)15-10-5-2-6-11-15/h1-6,8-11,16-17,19H,7,12-13H2
InChIKeyVGCPBBAFGHGLMC-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-phenylpyrrolidin-2-yl)methanol?
The IUPAC name of phenyl-(1-phenylpyrrolidin-2-yl)methanol (CID 164523197) is phenyl-(1-phenylpyrrolidin-2-yl)methanol.
What is the SMILES notation for phenyl-(1-phenylpyrrolidin-2-yl)methanol?
The canonical SMILES for phenyl-(1-phenylpyrrolidin-2-yl)methanol is OC(c1ccccc1)C1CCCN1c1ccccc1.
What is the InChIKey of phenyl-(1-phenylpyrrolidin-2-yl)methanol?
The InChIKey is VGCPBBAFGHGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16)15-10-5-2-6-11-15/h1-6,8-11,16-17,19H,7,12-13H2.
What are the key properties of phenyl-(1-phenylpyrrolidin-2-yl)methanol?
phenyl-(1-phenylpyrrolidin-2-yl)methanol has a molecular weight of 253.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-phenylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 164523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).