2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid

C16H15FO3 — CID 176514362

IUPAC2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1cccc(-c2cccc(C(C)C(=O)O)c2)c1F
InChIInChI=1S/C16H15FO3/c1-10(16(18)19)11-5-3-6-12(9-11)13-7-4-8-14(20-2)15(13)17/h3-10H,1-2H3,(H,18,19)
InChIKeyJYGFDZOGAOOOBX-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.69
Rot. Bonds4

About 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid

2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid (PubChem CID 176514362) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
PubChem CID176514362
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1cccc(-c2cccc(C(C)C(=O)O)c2)c1F
InChIInChI=1S/C16H15FO3/c1-10(16(18)19)11-5-3-6-12(9-11)13-7-4-8-14(20-2)15(13)17/h3-10H,1-2H3,(H,18,19)
InChIKeyJYGFDZOGAOOOBX-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid
CID 176514361
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
2-[3-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 176514359
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
CID 70164461
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-[4-(3-chlorophenyl)-3-fluorophenyl]propanoic acid
CID 11572691
2-[3-[1-(2-methoxyphenyl)ethyl]phenyl]-6-phenylphenol
CID 58238588

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid (CID 176514362) is 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid is COc1cccc(-c2cccc(C(C)C(=O)O)c2)c1F.
What is the InChIKey of 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid?
The InChIKey is JYGFDZOGAOOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10(16(18)19)11-5-3-6-12(9-11)13-7-4-8-14(20-2)15(13)17/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid?
2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 176514362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).