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

C15H12F2O3 — CID 164683828

IUPACmethyl 5-(2,5-difluorophenyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2cc(F)ccc2F)ccc1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-8-10(16)4-5-13(11)17/h3-8H,1-2H3
InChIKeyUJLCTYRGTSDKRZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.43
Rot. Bonds3

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

methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate (PubChem CID 164683828) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(2,5-difluorophenyl)-2-methoxybenzoate
PubChem CID164683828
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namemethyl 5-(2,5-difluorophenyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2cc(F)ccc2F)ccc1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-8-10(16)4-5-13(11)17/h3-8H,1-2H3
InChIKeyUJLCTYRGTSDKRZ-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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Related Compounds

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CID 3059
p-tert-Butylphenyl salicylate
CID 66597
Methyl 2-Methoxybenzoate
CID 61151
Ethyl 2-Methoxybenzoate
CID 81784
Methoxyphenone
CID 38839
3-Methoxy-2-naphthoic acid
CID 70161
Flufenisal
CID 31185
Methyl benzoylsalicylate
CID 285225
Methyl 5-methylsalicylate
CID 89802
6-Methyl-2-phenyl-chromen-4-one
CID 689013
Sdz-lap-977
CID 9818362
Acetylsalicylic anhydride
CID 15110

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate?
The IUPAC name of methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate (CID 164683828) is methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate?
The canonical SMILES for methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate is COC(=O)c1cc(-c2cc(F)ccc2F)ccc1OC.
What is the InChIKey of methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate?
The InChIKey is UJLCTYRGTSDKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14-6-3-9(7-12(14)15(18)20-2)11-8-10(16)4-5-13(11)17/h3-8H,1-2H3.
What are the key properties of methyl 5-(2,5-difluorophenyl)-2-methoxybenzoate?
methyl 5-(2,5-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-(2,5-difluorophenyl)-2-methoxybenzoate is sourced from PubChem (CID 164683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).