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

C10H11FO3 — CID 92983104

IUPAC(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](C)C(=O)O)cc1F
InChIInChI=1S/C10H11FO3/c1-6(10(12)13)7-3-4-9(14-2)8(11)5-7/h3-6H,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyBJDWIZPCJBXMSE-ZCFIWIBFSA-N
MW198.19 g/mol
LogP2.02
Rot. Bonds3

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

(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid (PubChem CID 92983104) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
PubChem CID92983104
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](C)C(=O)O)cc1F
InChIInChI=1S/C10H11FO3/c1-6(10(12)13)7-3-4-9(14-2)8(11)5-7/h3-6H,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyBJDWIZPCJBXMSE-ZCFIWIBFSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116908045
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid (CID 92983104) is (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid is COc1ccc([C@@H](C)C(=O)O)cc1F.
What is the InChIKey of (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The InChIKey is BJDWIZPCJBXMSE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(10(12)13)7-3-4-9(14-2)8(11)5-7/h3-6H,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 92983104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).