2-phenyl-5-pyrrolidin-1-ylphenol

C16H17NO — CID 91608204

IUPAC2-phenyl-5-pyrrolidin-1-ylphenol
SMILESOc1cc(N2CCCC2)ccc1-c1ccccc1
InChIInChI=1S/C16H17NO/c18-16-12-14(17-10-4-5-11-17)8-9-15(16)13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2
InChIKeyDPAOPFSWQNFCST-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.66
Rot. Bonds2

About 2-phenyl-5-pyrrolidin-1-ylphenol

2-phenyl-5-pyrrolidin-1-ylphenol (PubChem CID 91608204) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-phenyl-5-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-phenyl-5-pyrrolidin-1-ylphenol
PubChem CID91608204
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-phenyl-5-pyrrolidin-1-ylphenol
SMILESOc1cc(N2CCCC2)ccc1-c1ccccc1
InChIInChI=1S/C16H17NO/c18-16-12-14(17-10-4-5-11-17)8-9-15(16)13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2
InChIKeyDPAOPFSWQNFCST-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyrrolidin-1-ylphenol?
The IUPAC name of 2-phenyl-5-pyrrolidin-1-ylphenol (CID 91608204) is 2-phenyl-5-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-phenyl-5-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-phenyl-5-pyrrolidin-1-ylphenol is Oc1cc(N2CCCC2)ccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-pyrrolidin-1-ylphenol?
The InChIKey is DPAOPFSWQNFCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16-12-14(17-10-4-5-11-17)8-9-15(16)13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2.
What are the key properties of 2-phenyl-5-pyrrolidin-1-ylphenol?
2-phenyl-5-pyrrolidin-1-ylphenol has a molecular weight of 239.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyrrolidin-1-ylphenol is sourced from PubChem (CID 91608204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).