methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate

C11H13FO3 — CID 103338283

IUPACmethyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cc(F)ccc1C
InChIInChI=1S/C11H13FO3/c1-7-4-5-9(12)6-10(7)15-8(2)11(13)14-3/h4-6,8H,1-3H3/t8-/m0/s1
InChIKeyFRLWLTMHMUWZLX-QMMMGPOBSA-N
MW212.22 g/mol
LogP2.07
Rot. Bonds3

About methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate

methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate (PubChem CID 103338283) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
PubChem CID103338283
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namemethyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cc(F)ccc1C
InChIInChI=1S/C11H13FO3/c1-7-4-5-9(12)6-10(7)15-8(2)11(13)14-3/h4-6,8H,1-3H3/t8-/m0/s1
InChIKeyFRLWLTMHMUWZLX-QMMMGPOBSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
CID 71075712
2-(2,5-difluorophenoxy)propanamide
CID 63269491
4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
CID 113389444

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate?
The IUPAC name of methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate (CID 103338283) is methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate is COC(=O)[C@H](C)Oc1cc(F)ccc1C.
What is the InChIKey of methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate?
The InChIKey is FRLWLTMHMUWZLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7-4-5-9(12)6-10(7)15-8(2)11(13)14-3/h4-6,8H,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate?
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate has a molecular weight of 212.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate is sourced from PubChem (CID 103338283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).