7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one

C20H22O6 — CID 15481763

IUPAC7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
SMILESCOCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1
InChIInChI=1S/C20H22O6/c1-20(14-4-6-15(7-5-14)25-12-22-2)11-24-18-10-16(26-13-23-3)8-9-17(18)19(20)21/h4-10H,11-13H2,1-3H3
InChIKeyYANYLVOJMCKLCD-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.18
Rot. Bonds7

About 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one

7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one (PubChem CID 15481763) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one.

Molecular Properties

Compound Name7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
PubChem CID15481763
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
SMILESCOCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1
InChIInChI=1S/C20H22O6/c1-20(14-4-6-15(7-5-14)25-12-22-2)11-24-18-10-16(26-13-23-3)8-9-17(18)19(20)21/h4-10H,11-13H2,1-3H3
InChIKeyYANYLVOJMCKLCD-UHFFFAOYSA-N
XLogP3.18
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one 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 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
The IUPAC name of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one (CID 15481763) is 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one.
What is the SMILES notation for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
The canonical SMILES for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one is COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2=O)cc1.
What is the InChIKey of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
The InChIKey is YANYLVOJMCKLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-20(14-4-6-15(7-5-14)25-12-22-2)11-24-18-10-16(26-13-23-3)8-9-17(18)19(20)21/h4-10H,11-13H2,1-3H3.
What are the key properties of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one?
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one has a molecular weight of 358.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one is sourced from PubChem (CID 15481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).