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

C16H15FO4 — CID 82160886

IUPAC2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccc(F)cc2)c1O
InChIInChI=1S/C16H15FO4/c1-21-14-4-2-3-11(15(14)18)9-13(16(19)20)10-5-7-12(17)8-6-10/h2-8,13,18H,9H2,1H3,(H,19,20)
InChIKeyYIKQXWVWJHBSBD-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.95
Rot. Bonds5

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

2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 82160886) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID82160886
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccc(F)cc2)c1O
InChIInChI=1S/C16H15FO4/c1-21-14-4-2-3-11(15(14)18)9-13(16(19)20)10-5-7-12(17)8-6-10/h2-8,13,18H,9H2,1H3,(H,19,20)
InChIKeyYIKQXWVWJHBSBD-UHFFFAOYSA-N
XLogP2.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 112720099
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid (CID 82160886) is 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid is COc1cccc(CC(C(=O)O)c2ccc(F)cc2)c1O.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is YIKQXWVWJHBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-21-14-4-2-3-11(15(14)18)9-13(16(19)20)10-5-7-12(17)8-6-10/h2-8,13,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid?
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid has a molecular weight of 290.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82160886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).