1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione

C16H15NO4 — CID 86238841

IUPAC1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
SMILESCOc1ccc(C(=O)CC(=O)c2cccnc2OC)cc1
InChIInChI=1S/C16H15NO4/c1-20-12-7-5-11(6-8-12)14(18)10-15(19)13-4-3-9-17-16(13)21-2/h3-9H,10H2,1-2H3
InChIKeyHLRBYZHOOIVZDT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione

1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione (PubChem CID 86238841) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
PubChem CID86238841
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
SMILESCOc1ccc(C(=O)CC(=O)c2cccnc2OC)cc1
InChIInChI=1S/C16H15NO4/c1-20-12-7-5-11(6-8-12)14(18)10-15(19)13-4-3-9-17-16(13)21-2/h3-9H,10H2,1-2H3
InChIKeyHLRBYZHOOIVZDT-UHFFFAOYSA-N
XLogP2.55
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 115580215
methyl 2-[[4-(4-methoxyphenyl)-2,4-dioxobutanoyl]amino]benzoate
CID 177254221
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione (CID 86238841) is 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione is COc1ccc(C(=O)CC(=O)c2cccnc2OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione?
The InChIKey is HLRBYZHOOIVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-12-7-5-11(6-8-12)14(18)10-15(19)13-4-3-9-17-16(13)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione?
1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione has a molecular weight of 285.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione is sourced from PubChem (CID 86238841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).