2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one

C17H17Cl2NO4 — CID 56919206

IUPAC2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCOC(c3ccc(Cl)c(Cl)c3)C2)cc1=O
InChIInChI=1S/C17H17Cl2NO4/c1-22-17-10-24-12(7-15(17)21)8-20-4-5-23-16(9-20)11-2-3-13(18)14(19)6-11/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChIKeyBJUKAGXBBUKACQ-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.53
Rot. Bonds4

About 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one

2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one (PubChem CID 56919206) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
PubChem CID56919206
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCOC(c3ccc(Cl)c(Cl)c3)C2)cc1=O
InChIInChI=1S/C17H17Cl2NO4/c1-22-17-10-24-12(7-15(17)21)8-20-4-5-23-16(9-20)11-2-3-13(18)14(19)6-11/h2-3,6-7,10,16H,4-5,8-9H2,1H3
InChIKeyBJUKAGXBBUKACQ-UHFFFAOYSA-N
XLogP3.53
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
2-[[2-(cyclohexylmethyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56863756
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
CID 95402420
5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 95402328
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
(2S)-2-(3,4-dichlorophenyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]morpholine
CID 95549633
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one (CID 56919206) is 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one is COc1coc(CN2CCOC(c3ccc(Cl)c(Cl)c3)C2)cc1=O.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
The InChIKey is BJUKAGXBBUKACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-22-17-10-24-12(7-15(17)21)8-20-4-5-23-16(9-20)11-2-3-13(18)14(19)6-11/h2-3,6-7,10,16H,4-5,8-9H2,1H3.
What are the key properties of 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one?
2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one has a molecular weight of 370.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one is sourced from PubChem (CID 56919206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).