methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate

C15H12F2O3 — CID 527309

IUPACmethyl 5-(2,4-difluorophenyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-5-4-10(16)8-13(11)17/h3-8H,1-2H3
InChIKeyJIZOQURFDNMVQH-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.43
Rot. Bonds3

About methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate

methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate (PubChem CID 527309) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(2,4-difluorophenyl)-2-methoxybenzoate
PubChem CID527309
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namemethyl 5-(2,4-difluorophenyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-5-4-10(16)8-13(11)17/h3-8H,1-2H3
InChIKeyJIZOQURFDNMVQH-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate?
The IUPAC name of methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate (CID 527309) is methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate?
The canonical SMILES for methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate is COC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC.
What is the InChIKey of methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate?
The InChIKey is JIZOQURFDNMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-5-4-10(16)8-13(11)17/h3-8H,1-2H3.
What are the key properties of methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate?
methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate has a molecular weight of 278.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-difluorophenyl)-2-methoxybenzoate is sourced from PubChem (CID 527309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).