2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol

C14H21NO — CID 125450658

IUPAC2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol
SMILESCCC1(CC)CNC[C@@H]1c1ccccc1O
InChIInChI=1S/C14H21NO/c1-3-14(4-2)10-15-9-12(14)11-7-5-6-8-13(11)16/h5-8,12,15-16H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyOOIFJNAQGLOKRB-GFCCVEGCSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol

2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol (PubChem CID 125450658) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol
PubChem CID125450658
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol
SMILESCCC1(CC)CNC[C@@H]1c1ccccc1O
InChIInChI=1S/C14H21NO/c1-3-14(4-2)10-15-9-12(14)11-7-5-6-8-13(11)16/h5-8,12,15-16H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyOOIFJNAQGLOKRB-GFCCVEGCSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol?
The IUPAC name of 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol (CID 125450658) is 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol?
The canonical SMILES for 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol is CCC1(CC)CNC[C@@H]1c1ccccc1O.
What is the InChIKey of 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol?
The InChIKey is OOIFJNAQGLOKRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(4-2)10-15-9-12(14)11-7-5-6-8-13(11)16/h5-8,12,15-16H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol?
2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol is sourced from PubChem (CID 125450658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).