4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one

C13H16ClNO3 — CID 117009647

IUPAC4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
SMILESCc1ccc(Cl)cc1N1C(=O)COCC1CCO
InChIInChI=1S/C13H16ClNO3/c1-9-2-3-10(14)6-12(9)15-11(4-5-16)7-18-8-13(15)17/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyWFYAVGJJHKJJAS-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.76
Rot. Bonds3

About 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one

4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one (PubChem CID 117009647) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
PubChem CID117009647
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
SMILESCc1ccc(Cl)cc1N1C(=O)COCC1CCO
InChIInChI=1S/C13H16ClNO3/c1-9-2-3-10(14)6-12(9)15-11(4-5-16)7-18-8-13(15)17/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyWFYAVGJJHKJJAS-UHFFFAOYSA-N
XLogP1.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
(3R)-1-(5-chloro-2-methylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124542459
4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009573
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
1-(5-chloro-2-methylphenyl)-4-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 117023042
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
CID 115060501
4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one
CID 117009603
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 27520218
(1R,2R,6S,7R)-4-(5-chloro-2-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98070334

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one (CID 117009647) is 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one is Cc1ccc(Cl)cc1N1C(=O)COCC1CCO.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is WFYAVGJJHKJJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9-2-3-10(14)6-12(9)15-11(4-5-16)7-18-8-13(15)17/h2-3,6,11,16H,4-5,7-8H2,1H3.
What are the key properties of 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one?
4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 269.73 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 117009647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).