3-(2-fluoro-5-methoxyphenyl)propanoic acid

C10H11FO3 — CID 83402634

IUPAC3-(2-fluoro-5-methoxyphenyl)propanoic acid
SMILESCOc1ccc(F)c(CCC(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-14-8-3-4-9(11)7(6-8)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyBXLWBMRVVVKUNI-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.85
Rot. Bonds4

About 3-(2-fluoro-5-methoxyphenyl)propanoic acid

3-(2-fluoro-5-methoxyphenyl)propanoic acid (PubChem CID 83402634) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxyphenyl)propanoic acid
PubChem CID83402634
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-(2-fluoro-5-methoxyphenyl)propanoic acid
SMILESCOc1ccc(F)c(CCC(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-14-8-3-4-9(11)7(6-8)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyBXLWBMRVVVKUNI-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoro-5-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid
CID 155925880
3-[2-(dimethylamino)-5-methoxyphenyl]propanoic acid
CID 117319605
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
3-[2-[carboxy(hydroxy)methyl]-5-methoxyphenyl]propanoic acid
CID 118813661
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
3-(4-methoxy-2-methylsulfonylphenyl)propanoic acid
CID 84806000
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
3-(2-fluorophenyl)propanoic acid
CID 2063866
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
4-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]butanoic acid
CID 110834503
2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid
CID 166400734

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-fluoro-5-methoxyphenyl)propanoic acid (CID 83402634) is 3-(2-fluoro-5-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluoro-5-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-fluoro-5-methoxyphenyl)propanoic acid is COc1ccc(F)c(CCC(=O)O)c1.
What is the InChIKey of 3-(2-fluoro-5-methoxyphenyl)propanoic acid?
The InChIKey is BXLWBMRVVVKUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-8-3-4-9(11)7(6-8)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-(2-fluoro-5-methoxyphenyl)propanoic acid?
3-(2-fluoro-5-methoxyphenyl)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83402634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).