methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate

C20H20F2O6 — CID 126574853

IUPACmethyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate
SMILESCOCCOCCOc1ccc(F)c(F)c1C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H20F2O6/c1-25-9-10-27-11-12-28-16-8-7-15(21)18(22)17(16)19(23)13-3-5-14(6-4-13)20(24)26-2/h3-8H,9-12H2,1-2H3
InChIKeyXDOQCFNADNSZIU-UHFFFAOYSA-N
MW394.37 g/mol
LogP3.02
Rot. Bonds10

About methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate

methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate (PubChem CID 126574853) has the molecular formula C20H20F2O6 and a molecular weight of 394.37 g/mol. Its IUPAC name is methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate
PubChem CID126574853
Molecular FormulaC20H20F2O6
Molecular Weight394.37 g/mol
Exact Mass394.12
IUPAC Namemethyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate
SMILESCOCCOCCOc1ccc(F)c(F)c1C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H20F2O6/c1-25-9-10-27-11-12-28-16-8-7-15(21)18(22)17(16)19(23)13-3-5-14(6-4-13)20(24)26-2/h3-8H,9-12H2,1-2H3
InChIKeyXDOQCFNADNSZIU-UHFFFAOYSA-N
XLogP3.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
CID 54443547
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 170966297
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
CID 141235728
methyl 2,3-difluoro-6-prop-2-enoxybenzoate
CID 170553452
tert-butyl (3R,4R)-3-amino-4-[[4-[2,3-difluoro-6-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoyl]benzoyl]amino]pyrrolidine-1-carboxylate
CID 122627460
tert-butyl (3R,4R)-3-amino-4-[[4-[2,3-difluoro-6-[2-(2-hydroxyethoxy)ethoxy]benzoyl]benzoyl]amino]pyrrolidine-1-carboxylate
CID 122627458
N-[(3R,4R)-4-[[4-[2,3-difluoro-6-[2-(2-propoxyethoxy)ethoxy]benzoyl]benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-6-carboxamide
CID 122512730
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789
methyl 4-[2-[2-[2-[2-[2-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoyl]benzoate
CID 140747936
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate?
The IUPAC name of methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate (CID 126574853) is methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate.
What is the SMILES notation for methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate?
The canonical SMILES for methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate is COCCOCCOc1ccc(F)c(F)c1C(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate?
The InChIKey is XDOQCFNADNSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O6/c1-25-9-10-27-11-12-28-16-8-7-15(21)18(22)17(16)19(23)13-3-5-14(6-4-13)20(24)26-2/h3-8H,9-12H2,1-2H3.
What are the key properties of methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate?
methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate has a molecular weight of 394.37 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate is sourced from PubChem (CID 126574853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).