1-(3-chlorophenyl)-2-morpholin-4-ylethanone

C12H14ClNO2 — CID 43227690

IUPAC1-(3-chlorophenyl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-11-3-1-2-10(8-11)12(15)9-14-4-6-16-7-5-14/h1-3,8H,4-7,9H2
InChIKeyVLEWZLBRZUERAD-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-chlorophenyl)-2-morpholin-4-ylethanone

1-(3-chlorophenyl)-2-morpholin-4-ylethanone (PubChem CID 43227690) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-morpholin-4-ylethanone
PubChem CID43227690
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name1-(3-chlorophenyl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-11-3-1-2-10(8-11)12(15)9-14-4-6-16-7-5-14/h1-3,8H,4-7,9H2
InChIKeyVLEWZLBRZUERAD-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
CID 71792689
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-ylacetamide
CID 110444239

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-morpholin-4-ylethanone (CID 43227690) is 1-(3-chlorophenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-morpholin-4-ylethanone?
The InChIKey is VLEWZLBRZUERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-3-1-2-10(8-11)12(15)9-14-4-6-16-7-5-14/h1-3,8H,4-7,9H2.
What are the key properties of 1-(3-chlorophenyl)-2-morpholin-4-ylethanone?
1-(3-chlorophenyl)-2-morpholin-4-ylethanone has a molecular weight of 239.70 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 43227690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).