methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate

C16H15FO4 — CID 90379297

IUPACmethyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate
SMILESCOCOc1cccc(F)c1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H15FO4/c1-19-10-21-14-5-3-4-13(17)15(14)11-6-8-12(9-7-11)16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyIIFUBGFHRSZBFI-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.26
Rot. Bonds5

About methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate

methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate (PubChem CID 90379297) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate
PubChem CID90379297
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Namemethyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate
SMILESCOCOc1cccc(F)c1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H15FO4/c1-19-10-21-14-5-3-4-13(17)15(14)11-6-8-12(9-7-11)16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyIIFUBGFHRSZBFI-UHFFFAOYSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate?
The IUPAC name of methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate (CID 90379297) is methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate.
What is the SMILES notation for methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate?
The canonical SMILES for methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate is COCOc1cccc(F)c1-c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate?
The InChIKey is IIFUBGFHRSZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-10-21-14-5-3-4-13(17)15(14)11-6-8-12(9-7-11)16(18)20-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate?
methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate has a molecular weight of 290.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate is sourced from PubChem (CID 90379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).