2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone

C13H15Cl2NO3 — CID 110739797

IUPAC2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
SMILESCC1OCCCN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-9-16(5-2-6-18-9)13(17)8-19-12-4-3-10(14)7-11(12)15/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyRZNXBBSKHYKSKB-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.97
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone (PubChem CID 110739797) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
PubChem CID110739797
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
SMILESCC1OCCCN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-9-16(5-2-6-18-9)13(17)8-19-12-4-3-10(14)7-11(12)15/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyRZNXBBSKHYKSKB-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 110740156
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
CID 75765846
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 120810484
2-(2,4-dichlorophenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42907672
2-(2,4-dichlorophenoxy)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 26663387
2-(2,4-dichlorophenoxy)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 97127081
2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 102561626
(2R,3R)-1-[2-(2,5-dichlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115150
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 110603811

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone (CID 110739797) is 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone is CC1OCCCN1C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone?
The InChIKey is RZNXBBSKHYKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-9-16(5-2-6-18-9)13(17)8-19-12-4-3-10(14)7-11(12)15/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone has a molecular weight of 304.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone is sourced from PubChem (CID 110739797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).