dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C16H17NO6 — CID 700466

IUPACdimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(OC)c(O)c1
InChIInChI=1S/C16H17NO6/c1-21-13-5-4-9(6-12(13)18)14-10(15(19)22-2)7-17-8-11(14)16(20)23-3/h4-8,14,17-18H,1-3H3
InChIKeyWNFRIMVQDBLRMV-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.20
Rot. Bonds4

About dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 700466) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID700466
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Namedimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(OC)c(O)c1
InChIInChI=1S/C16H17NO6/c1-21-13-5-4-9(6-12(13)18)14-10(15(19)22-2)7-17-8-11(14)16(20)23-3/h4-8,14,17-18H,1-3H3
InChIKeyWNFRIMVQDBLRMV-UHFFFAOYSA-N
XLogP1.20
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 700466) is dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(OC)c(O)c1.
What is the InChIKey of dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is WNFRIMVQDBLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-21-13-5-4-9(6-12(13)18)14-10(15(19)22-2)7-17-8-11(14)16(20)23-3/h4-8,14,17-18H,1-3H3.
What are the key properties of dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 319.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 700466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).