5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one

C12H14ClNO2 — CID 154520608

IUPAC5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
SMILESCC1OCC(Cc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H14ClNO2/c1-8-12(15)14-11(7-16-8)6-9-2-4-10(13)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,14,15)
InChIKeyZGOVTGCSMYXJFQ-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.79
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one

5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one (PubChem CID 154520608) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
PubChem CID154520608
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
SMILESCC1OCC(Cc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H14ClNO2/c1-8-12(15)14-11(7-16-8)6-9-2-4-10(13)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,14,15)
InChIKeyZGOVTGCSMYXJFQ-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
CID 170200141
6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane
CID 142132062
(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
CID 126669797
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one
CID 155577069
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
CID 170197390
5-[(4-chlorophenyl)methyl]imidazolidin-4-one
CID 163242437
3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
CID 155765794
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 98044998

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one (CID 154520608) is 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one is CC1OCC(Cc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one?
The InChIKey is ZGOVTGCSMYXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-12(15)14-11(7-16-8)6-9-2-4-10(13)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,14,15).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one?
5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one has a molecular weight of 239.70 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one is sourced from PubChem (CID 154520608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).