3-fluoro-2-(4-methoxyphenyl)propanoic acid

C10H11FO3 — CID 20555403

IUPAC3-fluoro-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CF)C(=O)O)cc1
InChIInChI=1S/C10H11FO3/c1-14-8-4-2-7(3-5-8)9(6-11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyOTFIMZIUDJRAQX-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.83
Rot. Bonds4

About 3-fluoro-2-(4-methoxyphenyl)propanoic acid

3-fluoro-2-(4-methoxyphenyl)propanoic acid (PubChem CID 20555403) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxyphenyl)propanoic acid
PubChem CID20555403
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-fluoro-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CF)C(=O)O)cc1
InChIInChI=1S/C10H11FO3/c1-14-8-4-2-7(3-5-8)9(6-11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyOTFIMZIUDJRAQX-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4,4,4-trifluoro-2-(4-methoxyphenyl)butanoic acid
CID 125456327
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
4,4-difluoro-3-(4-methoxyphenyl)butanoic acid
CID 115037588
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoic acid
CID 102005725
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
(2R)-2-(4-methoxyphenyl)butanedioate
CID 6941687

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-fluoro-2-(4-methoxyphenyl)propanoic acid (CID 20555403) is 3-fluoro-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-fluoro-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-fluoro-2-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CF)C(=O)O)cc1.
What is the InChIKey of 3-fluoro-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is OTFIMZIUDJRAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-8-4-2-7(3-5-8)9(6-11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-2-(4-methoxyphenyl)propanoic acid?
3-fluoro-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 20555403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).