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

C10H11FO4 — CID 178069043

IUPAC2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(F)(CO)C(=O)O)cc1
InChIInChI=1S/C10H11FO4/c1-15-8-4-2-7(3-5-8)10(11,6-12)9(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyNAPYDAMAJQAIGR-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.94
Rot. Bonds4

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

2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid (PubChem CID 178069043) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
PubChem CID178069043
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(F)(CO)C(=O)O)cc1
InChIInChI=1S/C10H11FO4/c1-15-8-4-2-7(3-5-8)10(11,6-12)9(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyNAPYDAMAJQAIGR-UHFFFAOYSA-N
XLogP0.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-3-hydroxy-2-(4-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

2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
CID 69226482
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110466111
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid (CID 178069043) is 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid is COc1ccc(C(F)(CO)C(=O)O)cc1.
What is the InChIKey of 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is NAPYDAMAJQAIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-15-8-4-2-7(3-5-8)10(11,6-12)9(13)14/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid?
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 214.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 178069043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).