2-(3-chlorophenyl)-1-morpholin-2-ylethanone

C12H14ClNO2 — CID 116561676

IUPAC2-(3-chlorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C12H14ClNO2/c13-10-3-1-2-9(6-10)7-11(15)12-8-14-4-5-16-12/h1-3,6,12,14H,4-5,7-8H2
InChIKeyZFYMIMBHWGZZKU-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-chlorophenyl)-1-morpholin-2-ylethanone

2-(3-chlorophenyl)-1-morpholin-2-ylethanone (PubChem CID 116561676) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-morpholin-2-ylethanone
PubChem CID116561676
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(3-chlorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C12H14ClNO2/c13-10-3-1-2-9(6-10)7-11(15)12-8-14-4-5-16-12/h1-3,6,12,14H,4-5,7-8H2
InChIKeyZFYMIMBHWGZZKU-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
2-(4-hydroxyphenyl)-1-morpholin-2-ylethanone
CID 116561735
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077716
2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone
CID 175010779
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783
2-(3-fluoro-4-nitrophenyl)-1-morpholin-2-ylethanone
CID 175008765
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[1-(3-chlorophenyl)cyclopropyl]morpholine-2-carboxamide
CID 119799441

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-morpholin-2-ylethanone (CID 116561676) is 2-(3-chlorophenyl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-morpholin-2-ylethanone is O=C(Cc1cccc(Cl)c1)C1CNCCO1.
What is the InChIKey of 2-(3-chlorophenyl)-1-morpholin-2-ylethanone?
The InChIKey is ZFYMIMBHWGZZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-3-1-2-9(6-10)7-11(15)12-8-14-4-5-16-12/h1-3,6,12,14H,4-5,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-1-morpholin-2-ylethanone?
2-(3-chlorophenyl)-1-morpholin-2-ylethanone has a molecular weight of 239.70 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 116561676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).