2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid

C10H11FO3 — CID 54270409

IUPAC2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO3/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyRJSGUJLYDOQKBC-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.06
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid

2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid (PubChem CID 54270409) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
PubChem CID54270409
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO3/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyRJSGUJLYDOQKBC-UHFFFAOYSA-N
XLogP1.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic 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-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
CID 79418299
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236
azane;2-benzyl-3-hydroxypropanoic acid
CID 70116076
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
2-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 114930793
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
2-[(4-fluorophenyl)methyl]-5-hydroxy-5-methylhexanoic acid
CID 79419187
2-(cyclobutylmethyl)-3-(4-fluorophenyl)propanoic acid
CID 79418626
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 107882988
(2S,5S)-5-amino-2-[(4-fluorophenyl)methyl]-4-oxohexanoic acid;(2R,5S)-5-amino-2-[(4-fluorophenyl)methyl]-4-oxohexanoic acid
CID 161210604
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid (CID 54270409) is 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid is O=C(O)C(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid?
The InChIKey is RJSGUJLYDOQKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-4,8,12H,5-6H2,(H,13,14).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid?
2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 54270409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).