3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol

C15H21NO3 — CID 129433014

IUPAC3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol
SMILESOc1cccc([C@@H]2CN(C[C@H]3CCCO3)CCO2)c1
InChIInChI=1S/C15H21NO3/c17-13-4-1-3-12(9-13)15-11-16(6-8-19-15)10-14-5-2-7-18-14/h1,3-4,9,14-15,17H,2,5-8,10-11H2/t14-,15+/m1/s1
InChIKeyYTOYCBPIHGCJMF-CABCVRRESA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds3

About 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol

3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol (PubChem CID 129433014) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol
PubChem CID129433014
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol
SMILESOc1cccc([C@@H]2CN(C[C@H]3CCCO3)CCO2)c1
InChIInChI=1S/C15H21NO3/c17-13-4-1-3-12(9-13)15-11-16(6-8-19-15)10-14-5-2-7-18-14/h1,3-4,9,14-15,17H,2,5-8,10-11H2/t14-,15+/m1/s1
InChIKeyYTOYCBPIHGCJMF-CABCVRRESA-N
XLogP1.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol?
The IUPAC name of 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol (CID 129433014) is 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol.
What is the SMILES notation for 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol?
The canonical SMILES for 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol is Oc1cccc([C@@H]2CN(C[C@H]3CCCO3)CCO2)c1.
What is the InChIKey of 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol?
The InChIKey is YTOYCBPIHGCJMF-CABCVRRESA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-4-1-3-12(9-13)15-11-16(6-8-19-15)10-14-5-2-7-18-14/h1,3-4,9,14-15,17H,2,5-8,10-11H2/t14-,15+/m1/s1.
What are the key properties of 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol?
3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol has a molecular weight of 263.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol is sourced from PubChem (CID 129433014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).