4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol

C13H19NO2 — CID 63703160

IUPAC4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
SMILESCC(C)c1cccc(OC2CNCC2O)c1
InChIInChI=1S/C13H19NO2/c1-9(2)10-4-3-5-11(6-10)16-13-8-14-7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3
InChIKeyUHHFCMJQPZUASU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds3

About 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol

4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol (PubChem CID 63703160) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
PubChem CID63703160
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
SMILESCC(C)c1cccc(OC2CNCC2O)c1
InChIInChI=1S/C13H19NO2/c1-9(2)10-4-3-5-11(6-10)16-13-8-14-7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3
InChIKeyUHHFCMJQPZUASU-UHFFFAOYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol (CID 63703160) is 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol is CC(C)c1cccc(OC2CNCC2O)c1.
What is the InChIKey of 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol?
The InChIKey is UHHFCMJQPZUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)10-4-3-5-11(6-10)16-13-8-14-7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol?
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol is sourced from PubChem (CID 63703160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).