(4-pyrrolidin-1-ylphenyl)methanol

C11H15NO — CID 4961266

IUPAC(4-pyrrolidin-1-ylphenyl)methanol
SMILESOCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,13H,1-2,7-9H2
InChIKeyURPRBAHGHXSPKI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.78
Rot. Bonds2

About (4-pyrrolidin-1-ylphenyl)methanol

(4-pyrrolidin-1-ylphenyl)methanol (PubChem CID 4961266) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylphenyl)methanol
PubChem CID4961266
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4-pyrrolidin-1-ylphenyl)methanol
SMILESOCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,13H,1-2,7-9H2
InChIKeyURPRBAHGHXSPKI-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylphenyl)methanol?
The IUPAC name of (4-pyrrolidin-1-ylphenyl)methanol (CID 4961266) is (4-pyrrolidin-1-ylphenyl)methanol.
What is the SMILES notation for (4-pyrrolidin-1-ylphenyl)methanol?
The canonical SMILES for (4-pyrrolidin-1-ylphenyl)methanol is OCc1ccc(N2CCCC2)cc1.
What is the InChIKey of (4-pyrrolidin-1-ylphenyl)methanol?
The InChIKey is URPRBAHGHXSPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,13H,1-2,7-9H2.
What are the key properties of (4-pyrrolidin-1-ylphenyl)methanol?
(4-pyrrolidin-1-ylphenyl)methanol has a molecular weight of 177.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylphenyl)methanol is sourced from PubChem (CID 4961266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).