methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate

C18H21NO7 — CID 126484020

IUPACmethyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)c(OCC(C)(O)c2ccc(OC)nc2)c1
InChIInChI=1S/C18H21NO7/c1-18(22,12-5-6-15(24-3)19-9-12)10-26-14-8-11(17(21)25-4)7-13(23-2)16(14)20/h5-9,20,22H,10H2,1-4H3
InChIKeyCQEXXERYIGXAJH-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.88
Rot. Bonds7

About methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate

methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate (PubChem CID 126484020) has the molecular formula C18H21NO7 and a molecular weight of 363.37 g/mol. Its IUPAC name is methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate
PubChem CID126484020
Molecular FormulaC18H21NO7
Molecular Weight363.37 g/mol
Exact Mass363.13
IUPAC Namemethyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)c(OCC(C)(O)c2ccc(OC)nc2)c1
InChIInChI=1S/C18H21NO7/c1-18(22,12-5-6-15(24-3)19-9-12)10-26-14-8-11(17(21)25-4)7-13(23-2)16(14)20/h5-9,20,22H,10H2,1-4H3
InChIKeyCQEXXERYIGXAJH-UHFFFAOYSA-N
XLogP1.88
TPSA107.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate 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 methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate?
The IUPAC name of methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate (CID 126484020) is methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate.
What is the SMILES notation for methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate?
The canonical SMILES for methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate is COC(=O)c1cc(OC)c(O)c(OCC(C)(O)c2ccc(OC)nc2)c1.
What is the InChIKey of methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate?
The InChIKey is CQEXXERYIGXAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7/c1-18(22,12-5-6-15(24-3)19-9-12)10-26-14-8-11(17(21)25-4)7-13(23-2)16(14)20/h5-9,20,22H,10H2,1-4H3.
What are the key properties of methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate?
methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate has a molecular weight of 363.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-[2-hydroxy-2-(6-methoxy-3-pyridinyl)propoxy]-5-methoxybenzoate is sourced from PubChem (CID 126484020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).