methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate

C11H11FO3 — CID 171011164

IUPACmethyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(F)cc(C)c1C=O
InChIInChI=1S/C11H11FO3/c1-7-3-9(12)4-8(10(7)6-13)5-11(14)15-2/h3-4,6H,5H2,1-2H3
InChIKeyFSDDBLMMJJTVHR-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate

methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate (PubChem CID 171011164) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate
PubChem CID171011164
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(F)cc(C)c1C=O
InChIInChI=1S/C11H11FO3/c1-7-3-9(12)4-8(10(7)6-13)5-11(14)15-2/h3-4,6H,5H2,1-2H3
InChIKeyFSDDBLMMJJTVHR-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-fluoro-3-formyl-2-methoxyphenyl)acetate
CID 171010529
methyl 2-(2-formyl-3,4-dimethylphenyl)acetate
CID 171024356
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
CID 130837002
methyl 2-(5-chloro-2-formyl-4-methylphenyl)acetate
CID 171021917
methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
CID 171022888
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-[2-(chloromethyl)-4,5-dimethylphenyl]acetate
CID 171020528
methyl 2-[2-(bromomethyl)-4,5-dimethylphenyl]acetate
CID 171017296
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923
methyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017298
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate?
The IUPAC name of methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate (CID 171011164) is methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate is COC(=O)Cc1cc(F)cc(C)c1C=O.
What is the InChIKey of methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate?
The InChIKey is FSDDBLMMJJTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-7-3-9(12)4-8(10(7)6-13)5-11(14)15-2/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate?
methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate has a molecular weight of 210.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate is sourced from PubChem (CID 171011164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).