4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol

C13H19NO3 — CID 81219785

IUPAC4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
SMILESCC1COC(CO)CN1Cc1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-10-9-17-13(8-15)7-14(10)6-11-2-4-12(16)5-3-11/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyWVXBXGYECNYQKX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds3

About 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol

4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol (PubChem CID 81219785) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
PubChem CID81219785
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
SMILESCC1COC(CO)CN1Cc1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-10-9-17-13(8-15)7-14(10)6-11-2-4-12(16)5-3-11/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyWVXBXGYECNYQKX-UHFFFAOYSA-N
XLogP0.97
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol?
The IUPAC name of 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol (CID 81219785) is 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol is CC1COC(CO)CN1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol?
The InChIKey is WVXBXGYECNYQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-9-17-13(8-15)7-14(10)6-11-2-4-12(16)5-3-11/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol?
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol is sourced from PubChem (CID 81219785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).