3-[(2S)-4-propylmorpholin-2-yl]phenol

C13H19NO2 — CID 10036468

IUPAC3-[(2S)-4-propylmorpholin-2-yl]phenol
SMILESCCCN1CCO[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m1/s1
InChIKeyWYEGTIGJSHGEID-CYBMUJFWSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds3

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

3-[(2S)-4-propylmorpholin-2-yl]phenol (PubChem CID 10036468) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(2S)-4-propylmorpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2S)-4-propylmorpholin-2-yl]phenol
PubChem CID10036468
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(2S)-4-propylmorpholin-2-yl]phenol
SMILESCCCN1CCO[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m1/s1
InChIKeyWYEGTIGJSHGEID-CYBMUJFWSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-propylmorpholin-2-yl]phenol?
The IUPAC name of 3-[(2S)-4-propylmorpholin-2-yl]phenol (CID 10036468) is 3-[(2S)-4-propylmorpholin-2-yl]phenol.
What is the SMILES notation for 3-[(2S)-4-propylmorpholin-2-yl]phenol?
The canonical SMILES for 3-[(2S)-4-propylmorpholin-2-yl]phenol is CCCN1CCO[C@@H](c2cccc(O)c2)C1.
What is the InChIKey of 3-[(2S)-4-propylmorpholin-2-yl]phenol?
The InChIKey is WYEGTIGJSHGEID-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 3-[(2S)-4-propylmorpholin-2-yl]phenol?
3-[(2S)-4-propylmorpholin-2-yl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-propylmorpholin-2-yl]phenol is sourced from PubChem (CID 10036468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).