methyl 2-(4-fluorophenoxy)-5-methylbenzoate

C15H13FO3 — CID 143796271

IUPACmethyl 2-(4-fluorophenoxy)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c1-10-3-8-14(13(9-10)15(17)18-2)19-12-6-4-11(16)5-7-12/h3-9H,1-2H3
InChIKeyIAMGPSWOAIFSCZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.71
Rot. Bonds3

About methyl 2-(4-fluorophenoxy)-5-methylbenzoate

methyl 2-(4-fluorophenoxy)-5-methylbenzoate (PubChem CID 143796271) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is methyl 2-(4-fluorophenoxy)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenoxy)-5-methylbenzoate
PubChem CID143796271
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-(4-fluorophenoxy)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c1-10-3-8-14(13(9-10)15(17)18-2)19-12-6-4-11(16)5-7-12/h3-9H,1-2H3
InChIKeyIAMGPSWOAIFSCZ-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
5-bromo-2-(4-fluorophenoxy)benzoic acid;methyl 5-bromo-2-(4-fluorophenoxy)benzoate
CID 164969809
methyl 2-(4-methylphenoxy)-5-(1H-pyrazol-4-yl)benzoate
CID 155459433
methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
CID 167111923
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
methyl 5-amino-2-(3,5-difluorophenoxy)benzoate
CID 62783761
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 2-(3-hydroxypropoxy)-5-methylbenzoate
CID 110885047
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenoxy)-5-methylbenzoate?
The IUPAC name of methyl 2-(4-fluorophenoxy)-5-methylbenzoate (CID 143796271) is methyl 2-(4-fluorophenoxy)-5-methylbenzoate.
What is the SMILES notation for methyl 2-(4-fluorophenoxy)-5-methylbenzoate?
The canonical SMILES for methyl 2-(4-fluorophenoxy)-5-methylbenzoate is COC(=O)c1cc(C)ccc1Oc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenoxy)-5-methylbenzoate?
The InChIKey is IAMGPSWOAIFSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-3-8-14(13(9-10)15(17)18-2)19-12-6-4-11(16)5-7-12/h3-9H,1-2H3.
What are the key properties of methyl 2-(4-fluorophenoxy)-5-methylbenzoate?
methyl 2-(4-fluorophenoxy)-5-methylbenzoate has a molecular weight of 260.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenoxy)-5-methylbenzoate is sourced from PubChem (CID 143796271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).