1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol

C17H27NO2 — CID 11857382

IUPAC1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
SMILESCC(O)c1ccc(OCCCCCN2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-15(19)16-7-9-17(10-8-16)20-14-6-2-3-11-18-12-4-5-13-18/h7-10,15,19H,2-6,11-14H2,1H3
InChIKeyQSHSUPUUQNVVTB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds8

About 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol

1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol (PubChem CID 11857382) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
PubChem CID11857382
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
SMILESCC(O)c1ccc(OCCCCCN2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-15(19)16-7-9-17(10-8-16)20-14-6-2-3-11-18-12-4-5-13-18/h7-10,15,19H,2-6,11-14H2,1H3
InChIKeyQSHSUPUUQNVVTB-UHFFFAOYSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol (CID 11857382) is 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol is CC(O)c1ccc(OCCCCCN2CCCC2)cc1.
What is the InChIKey of 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol?
The InChIKey is QSHSUPUUQNVVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15(19)16-7-9-17(10-8-16)20-14-6-2-3-11-18-12-4-5-13-18/h7-10,15,19H,2-6,11-14H2,1H3.
What are the key properties of 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol?
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol is sourced from PubChem (CID 11857382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).