1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione

C23H31NO5Sn — CID 157351064

IUPAC1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c([Sn](C)(C)C)n2)cc1OC
InChIInChI=1S/C20H22NO5.3CH3.Sn/c1-4-11-26-19-10-5-14(12-20(19)25-3)17(22)8-9-18(23)16-7-6-15(24-2)13-21-16;;;;/h5-7,10,12H,4,8-9,11H2,1-3H3;3*1H3;
InChIKeyXNEIRNZNVDVTFO-UHFFFAOYSA-N
MW520.21 g/mol
LogP4.28
Rot. Bonds11

About 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione

1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione (PubChem CID 157351064) has the molecular formula C23H31NO5Sn and a molecular weight of 520.21 g/mol. Its IUPAC name is 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione
PubChem CID157351064
Molecular FormulaC23H31NO5Sn
Molecular Weight520.21 g/mol
Exact Mass521.12
IUPAC Name1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c([Sn](C)(C)C)n2)cc1OC
InChIInChI=1S/C20H22NO5.3CH3.Sn/c1-4-11-26-19-10-5-14(12-20(19)25-3)17(22)8-9-18(23)16-7-6-15(24-2)13-21-16;;;;/h5-7,10,12H,4,8-9,11H2,1-3H3;3*1H3;
InChIKeyXNEIRNZNVDVTFO-UHFFFAOYSA-N
XLogP4.28
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione with MolForge

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Related Compounds

1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(4-methylsulfonylphenyl)-2-pyridinyl]butane-1,4-dione
CID 158408010
1-[6-(4-chloro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 167596972
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-pyridinyl]butane-1,4-dione
CID 167591137
2-bromo-1-(4-methoxy-3-propoxyphenyl)ethanone
CID 54341335
ethyl 4-(4-butanoyl-2-methoxyphenoxy)butanoate
CID 68799318
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione
CID 147440895
3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
CID 82050339
1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(1-methylindol-6-yl)-2-pyridinyl]butane-1,4-dione
CID 167687350
1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-[4-(piperidine-1-carbonyl)phenyl]-2-pyridinyl]butane-1,4-dione
CID 159859029
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione?
The IUPAC name of 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione (CID 157351064) is 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione.
What is the SMILES notation for 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione?
The canonical SMILES for 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione is CCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c([Sn](C)(C)C)n2)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione?
The InChIKey is XNEIRNZNVDVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NO5.3CH3.Sn/c1-4-11-26-19-10-5-14(12-20(19)25-3)17(22)8-9-18(23)16-7-6-15(24-2)13-21-16;;;;/h5-7,10,12H,4,8-9,11H2,1-3H3;3*1H3;.
What are the key properties of 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione?
1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione has a molecular weight of 520.21 g/mol, XLogP of 4.28, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione is sourced from PubChem (CID 157351064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).