5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one

C13H17NO4 — CID 115102814

IUPAC5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccccc1CN1C(=O)COCC1CO
InChIInChI=1S/C13H17NO4/c1-17-12-5-3-2-4-10(12)6-14-11(7-15)8-18-9-13(14)16/h2-5,11,15H,6-9H2,1H3
InChIKeyJFDRMAAYKBKAAU-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.41
Rot. Bonds4

About 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one

5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one (PubChem CID 115102814) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
PubChem CID115102814
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
SMILESCOc1ccccc1CN1C(=O)COCC1CO
InChIInChI=1S/C13H17NO4/c1-17-12-5-3-2-4-10(12)6-14-11(7-15)8-18-9-13(14)16/h2-5,11,15H,6-9H2,1H3
InChIKeyJFDRMAAYKBKAAU-UHFFFAOYSA-N
XLogP0.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
CID 56774739
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-2-methoxyacetamide
CID 56774749
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
CID 56774738
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 90463062
6-(2-hydroxyethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115067735

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one (CID 115102814) is 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one is COc1ccccc1CN1C(=O)COCC1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one?
The InChIKey is JFDRMAAYKBKAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-12-5-3-2-4-10(12)6-14-11(7-15)8-18-9-13(14)16/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one?
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one has a molecular weight of 251.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 115102814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).