1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone

C13H16ClNO3 — CID 43227712

IUPAC1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
SMILESCOc1ccc(C(=O)CN2CCOCC2)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyAPNILEWTYIIPEP-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone

1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone (PubChem CID 43227712) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
PubChem CID43227712
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
SMILESCOc1ccc(C(=O)CN2CCOCC2)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyAPNILEWTYIIPEP-UHFFFAOYSA-N
XLogP1.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204171
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
CID 82051495
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928596
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025553
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone (CID 43227712) is 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone is COc1ccc(C(=O)CN2CCOCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone?
The InChIKey is APNILEWTYIIPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone?
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone has a molecular weight of 269.73 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 43227712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).