6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one

C11H13NO4 — CID 115067566

IUPAC6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
SMILESO=C1COC(CO)CN1c1ccccc1O
InChIInChI=1S/C11H13NO4/c13-6-8-5-12(11(15)7-16-8)9-3-1-2-4-10(9)14/h1-4,8,13-14H,5-7H2
InChIKeyCOPBKMDFBBOKIL-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.12
Rot. Bonds2

About 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one

6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one (PubChem CID 115067566) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
PubChem CID115067566
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
SMILESO=C1COC(CO)CN1c1ccccc1O
InChIInChI=1S/C11H13NO4/c13-6-8-5-12(11(15)7-16-8)9-3-1-2-4-10(9)14/h1-4,8,13-14H,5-7H2
InChIKeyCOPBKMDFBBOKIL-UHFFFAOYSA-N
XLogP0.12
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-hydroxyethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067675
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008859
4-(2-bromophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008868
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
2-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzonitrile
CID 117008949
4-(4-bromo-3-methylphenyl)-6-(hydroxymethyl)morpholin-3-one
CID 117009003
6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
CID 117008961
4-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)morpholin-3-one
CID 117008957
(3-phenyl-1,3-oxazolidin-5-yl)methanol
CID 67931744
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one
CID 115103002

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one?
The IUPAC name of 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one (CID 115067566) is 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one is O=C1COC(CO)CN1c1ccccc1O.
What is the InChIKey of 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one?
The InChIKey is COPBKMDFBBOKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-6-8-5-12(11(15)7-16-8)9-3-1-2-4-10(9)14/h1-4,8,13-14H,5-7H2.
What are the key properties of 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one?
6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one has a molecular weight of 223.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one is sourced from PubChem (CID 115067566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).