2-fluoro-3-(2-methylphenoxy)propanoic acid

C10H11FO3 — CID 105451332

IUPAC2-fluoro-3-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OCC(F)C(=O)O
InChIInChI=1S/C10H11FO3/c1-7-4-2-3-5-9(7)14-6-8(11)10(12)13/h2-5,8H,6H2,1H3,(H,12,13)
InChIKeySMEDIQLBMFAWGV-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.80
Rot. Bonds4

About 2-fluoro-3-(2-methylphenoxy)propanoic acid

2-fluoro-3-(2-methylphenoxy)propanoic acid (PubChem CID 105451332) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(2-methylphenoxy)propanoic acid
PubChem CID105451332
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-3-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OCC(F)C(=O)O
InChIInChI=1S/C10H11FO3/c1-7-4-2-3-5-9(7)14-6-8(11)10(12)13/h2-5,8H,6H2,1H3,(H,12,13)
InChIKeySMEDIQLBMFAWGV-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
3-(2-methylphenoxy)-2-methylsulfanyl-1-phenylpropan-1-one
CID 67708542
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
2-[4-(2-methylphenoxy)butylsulfinyl]propanoic acid
CID 123103877
[3-hydroxy-1-(2-methylphenoxy)butan-2-yl] 2-hydroxyacetate
CID 58519921
lithium 2-(2-methylphenoxy)acetate
CID 19205696
sodium 2-(2-methylphenoxy)acetate
CID 23664336
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] nitrate
CID 177494684

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methylphenoxy)propanoic acid?
The IUPAC name of 2-fluoro-3-(2-methylphenoxy)propanoic acid (CID 105451332) is 2-fluoro-3-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 2-fluoro-3-(2-methylphenoxy)propanoic acid is Cc1ccccc1OCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-(2-methylphenoxy)propanoic acid?
The InChIKey is SMEDIQLBMFAWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7-4-2-3-5-9(7)14-6-8(11)10(12)13/h2-5,8H,6H2,1H3,(H,12,13).
What are the key properties of 2-fluoro-3-(2-methylphenoxy)propanoic acid?
2-fluoro-3-(2-methylphenoxy)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 105451332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).