2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid

C17H17FO2 — CID 60793481

IUPAC2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(Cc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C17H17FO2/c1-12-6-8-13(9-7-12)10-15(17(19)20)11-14-4-2-3-5-16(14)18/h2-9,15H,10-11H2,1H3,(H,19,20)
InChIKeyTVVAZTGDIBGOOS-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.62
Rot. Bonds5

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

2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid (PubChem CID 60793481) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
PubChem CID60793481
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(Cc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C17H17FO2/c1-12-6-8-13(9-7-12)10-15(17(19)20)11-14-4-2-3-5-16(14)18/h2-9,15H,10-11H2,1H3,(H,19,20)
InChIKeyTVVAZTGDIBGOOS-UHFFFAOYSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)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-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60794341
2-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)propanoic acid
CID 60794207
2-benzyl-3-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119234004
2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoic acid
CID 19604203
2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
2-[(4-methylphenyl)methyl]-3-pyrimidin-2-ylpropanoic acid
CID 79418377
2-(iodomethyl)-3-(4-methylphenyl)propanoic acid
CID 11779777
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid (CID 60793481) is 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid is Cc1ccc(CC(Cc2ccccc2F)C(=O)O)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid?
The InChIKey is TVVAZTGDIBGOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12-6-8-13(9-7-12)10-15(17(19)20)11-14-4-2-3-5-16(14)18/h2-9,15H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid?
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid has a molecular weight of 272.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 60793481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).