2-(hydroxymethyl)-4-phenylmorpholin-3-one

C11H13NO3 — CID 117008608

IUPAC2-(hydroxymethyl)-4-phenylmorpholin-3-one
SMILESO=C1C(CO)OCCN1c1ccccc1
InChIInChI=1S/C11H13NO3/c13-8-10-11(14)12(6-7-15-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeySKQMZRHFPWTPMB-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.41
Rot. Bonds2

About 2-(hydroxymethyl)-4-phenylmorpholin-3-one

2-(hydroxymethyl)-4-phenylmorpholin-3-one (PubChem CID 117008608) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-phenylmorpholin-3-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-phenylmorpholin-3-one
PubChem CID117008608
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(hydroxymethyl)-4-phenylmorpholin-3-one
SMILESO=C1C(CO)OCCN1c1ccccc1
InChIInChI=1S/C11H13NO3/c13-8-10-11(14)12(6-7-15-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeySKQMZRHFPWTPMB-UHFFFAOYSA-N
XLogP0.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008639
4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008644
4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008421
3-[2-(2-hydroxyethyl)-3-oxomorpholin-4-yl]benzonitrile
CID 117008427
2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 117008495
4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008392
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 115009727
5-(phenoxymethyl)-3-phenyl-1,3-oxazolidin-4-one
CID 70619081
(2R)-4-(4-tert-butylphenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 15984336
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
3-fluoro-1-phenylpyrrolidin-2-one
CID 157010734

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-phenylmorpholin-3-one?
The IUPAC name of 2-(hydroxymethyl)-4-phenylmorpholin-3-one (CID 117008608) is 2-(hydroxymethyl)-4-phenylmorpholin-3-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-phenylmorpholin-3-one?
The canonical SMILES for 2-(hydroxymethyl)-4-phenylmorpholin-3-one is O=C1C(CO)OCCN1c1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-4-phenylmorpholin-3-one?
The InChIKey is SKQMZRHFPWTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-10-11(14)12(6-7-15-10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of 2-(hydroxymethyl)-4-phenylmorpholin-3-one?
2-(hydroxymethyl)-4-phenylmorpholin-3-one has a molecular weight of 207.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-phenylmorpholin-3-one is sourced from PubChem (CID 117008608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).