methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate

C16H15FO3 — CID 167111923

IUPACmethyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1Oc1ccc(F)cc1C
InChIInChI=1S/C16H15FO3/c1-10-4-6-13(16(18)19-3)15(8-10)20-14-7-5-12(17)9-11(14)2/h4-9H,1-3H3
InChIKeyCYXOIUXBIGKNDG-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.02
Rot. Bonds3

About methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate

methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate (PubChem CID 167111923) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
PubChem CID167111923
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1Oc1ccc(F)cc1C
InChIInChI=1S/C16H15FO3/c1-10-4-6-13(16(18)19-3)15(8-10)20-14-7-5-12(17)9-11(14)2/h4-9H,1-3H3
InChIKeyCYXOIUXBIGKNDG-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluorophenoxy)-5-methylbenzoate
CID 143796271
methyl 5-amino-3-chloro-2-(4-fluoro-2-methylphenoxy)benzoate
CID 107198080
methyl 2-fluoro-5-[[2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]benzoate
CID 163361420
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
CID 67227707
methyl 2-(2-cyano-3-fluorophenoxy)-4-fluorobenzoate
CID 67227369
methyl 5-[[5-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-fluorobenzoate
CID 163361451
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
CID 99976230
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
methanethiol;methyl 2-(dimethylaminooxy)-4-methylbenzoate
CID 144525219
methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate
CID 67228187
methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate
CID 145310758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate?
The IUPAC name of methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate (CID 167111923) is methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate.
What is the SMILES notation for methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate?
The canonical SMILES for methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate is COC(=O)c1ccc(C)cc1Oc1ccc(F)cc1C.
What is the InChIKey of methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate?
The InChIKey is CYXOIUXBIGKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-4-6-13(16(18)19-3)15(8-10)20-14-7-5-12(17)9-11(14)2/h4-9H,1-3H3.
What are the key properties of methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate?
methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate has a molecular weight of 274.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate is sourced from PubChem (CID 167111923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).