4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol

C21H27NO — CID 10828712

IUPAC4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol
SMILESOc1ccc(C2CCN(CCCCCc3ccccc3)C2)cc1
InChIInChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
InChIKeyRLJRNRGUFOJGBB-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.59
Rot. Bonds7

About 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol

4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol (PubChem CID 10828712) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol
PubChem CID10828712
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol
SMILESOc1ccc(C2CCN(CCCCCc3ccccc3)C2)cc1
InChIInChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
InChIKeyRLJRNRGUFOJGBB-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol?
The IUPAC name of 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol (CID 10828712) is 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol.
What is the SMILES notation for 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol?
The canonical SMILES for 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol is Oc1ccc(C2CCN(CCCCCc3ccccc3)C2)cc1.
What is the InChIKey of 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol?
The InChIKey is RLJRNRGUFOJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2.
What are the key properties of 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol?
4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol has a molecular weight of 309.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-phenylpentyl)pyrrolidin-3-yl]phenol is sourced from PubChem (CID 10828712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).