4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one

C14H19NO3 — CID 117008392

IUPAC4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
SMILESCc1cccc(C)c1N1CCOC(CCO)C1=O
InChIInChI=1S/C14H19NO3/c1-10-4-3-5-11(2)13(10)15-7-9-18-12(6-8-16)14(15)17/h3-5,12,16H,6-9H2,1-2H3
InChIKeyMECMPCLPBMHDHG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds3

About 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one

4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one (PubChem CID 117008392) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
PubChem CID117008392
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
SMILESCc1cccc(C)c1N1CCOC(CCO)C1=O
InChIInChI=1S/C14H19NO3/c1-10-4-3-5-11(2)13(10)15-7-9-18-12(6-8-16)14(15)17/h3-5,12,16H,6-9H2,1-2H3
InChIKeyMECMPCLPBMHDHG-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008421
3-[2-(2-hydroxyethyl)-3-oxomorpholin-4-yl]benzonitrile
CID 117008427
1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
CID 117014191
2-(hydroxymethyl)-4-phenylmorpholin-3-one
CID 117008608
4-(furan-2-ylmethyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008372
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618
4-(4-tert-butylphenyl)-2-[[3-methyl-2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 11166454
4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008639
[1-(2,6-dimethylphenyl)-2-oxopyrrolidin-3-yl]-trimethylazanium
CID 155692435
4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008644
1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
CID 117014103
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one (CID 117008392) is 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one is Cc1cccc(C)c1N1CCOC(CCO)C1=O.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is MECMPCLPBMHDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-4-3-5-11(2)13(10)15-7-9-18-12(6-8-16)14(15)17/h3-5,12,16H,6-9H2,1-2H3.
What are the key properties of 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one?
4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 117008392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).