4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol

C16H25NO — CID 82983105

IUPAC4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCCC1C(C)C
InChIInChI=1S/C16H25NO/c1-4-15(13-7-9-14(18)10-8-13)17-11-5-6-16(17)12(2)3/h7-10,12,15-16,18H,4-6,11H2,1-3H3
InChIKeyIIQPILFDDXZBCP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.96
Rot. Bonds4

About 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol

4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol (PubChem CID 82983105) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
PubChem CID82983105
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCCC1C(C)C
InChIInChI=1S/C16H25NO/c1-4-15(13-7-9-14(18)10-8-13)17-11-5-6-16(17)12(2)3/h7-10,12,15-16,18H,4-6,11H2,1-3H3
InChIKeyIIQPILFDDXZBCP-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol?
The IUPAC name of 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol (CID 82983105) is 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol?
The canonical SMILES for 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol is CCC(c1ccc(O)cc1)N1CCCC1C(C)C.
What is the InChIKey of 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol?
The InChIKey is IIQPILFDDXZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-15(13-7-9-14(18)10-8-13)17-11-5-6-16(17)12(2)3/h7-10,12,15-16,18H,4-6,11H2,1-3H3.
What are the key properties of 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol?
4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol is sourced from PubChem (CID 82983105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).