propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate

C12H15FO3 — CID 103988371

IUPACpropan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OC(C)C)c1F
InChIInChI=1S/C12H15FO3/c1-8(2)16-11(14)7-15-10-6-4-5-9(3)12(10)13/h4-6,8H,7H2,1-3H3
InChIKeyHTVQSDVIFFWFHJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.46
Rot. Bonds4

About propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate

propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate (PubChem CID 103988371) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
PubChem CID103988371
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Namepropan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OC(C)C)c1F
InChIInChI=1S/C12H15FO3/c1-8(2)16-11(14)7-15-10-6-4-5-9(3)12(10)13/h4-6,8H,7H2,1-3H3
InChIKeyHTVQSDVIFFWFHJ-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
CID 107341945
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131
propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
CID 78936379
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982005
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
CID 103988445
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
propan-2-yl 2-phenoxyacetate
CID 11367560
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate?
The IUPAC name of propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate (CID 103988371) is propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OC(C)C)c1F.
What is the InChIKey of propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate?
The InChIKey is HTVQSDVIFFWFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(2)16-11(14)7-15-10-6-4-5-9(3)12(10)13/h4-6,8H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate?
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate has a molecular weight of 226.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate is sourced from PubChem (CID 103988371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).