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

C17H17FO3 — CID 83950889

IUPAC2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H17FO3/c1-11-3-6-13(10-16(11)18)15(17(19)20)9-12-4-7-14(21-2)8-5-12/h3-8,10,15H,9H2,1-2H3,(H,19,20)
InChIKeyCHGSIHVAWVNNHX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.55
Rot. Bonds5

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

2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 83950889) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
PubChem CID83950889
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H17FO3/c1-11-3-6-13(10-16(11)18)15(17(19)20)9-12-4-7-14(21-2)8-5-12/h3-8,10,15H,9H2,1-2H3,(H,19,20)
InChIKeyCHGSIHVAWVNNHX-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 83953745
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 104606826
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
4-[2-carboxy-2-(4-methoxy-3-methylphenyl)ethyl]benzoic acid
CID 83955750
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid (CID 83950889) is 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is CHGSIHVAWVNNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11-3-6-13(10-16(11)18)15(17(19)20)9-12-4-7-14(21-2)8-5-12/h3-8,10,15H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid?
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83950889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).