3-(2-fluorophenyl)-2-propoxypropanoic acid

C12H15FO3 — CID 133245291

IUPAC3-(2-fluorophenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C12H15FO3/c1-2-7-16-11(12(14)15)8-9-5-3-4-6-10(9)13/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyVHSGXLMBSIBKJA-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.25
Rot. Bonds6

About 3-(2-fluorophenyl)-2-propoxypropanoic acid

3-(2-fluorophenyl)-2-propoxypropanoic acid (PubChem CID 133245291) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-propoxypropanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-propoxypropanoic acid
PubChem CID133245291
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-(2-fluorophenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C12H15FO3/c1-2-7-16-11(12(14)15)8-9-5-3-4-6-10(9)13/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyVHSGXLMBSIBKJA-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-propoxypropanoic acid
CID 100550485
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
CID 133241144
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-propoxypropanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-propoxypropanoic acid (CID 133245291) is 3-(2-fluorophenyl)-2-propoxypropanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-propoxypropanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-propoxypropanoic acid is CCCOC(Cc1ccccc1F)C(=O)O.
What is the InChIKey of 3-(2-fluorophenyl)-2-propoxypropanoic acid?
The InChIKey is VHSGXLMBSIBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-2-7-16-11(12(14)15)8-9-5-3-4-6-10(9)13/h3-6,11H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(2-fluorophenyl)-2-propoxypropanoic acid?
3-(2-fluorophenyl)-2-propoxypropanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-propoxypropanoic acid is sourced from PubChem (CID 133245291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).