3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid

C10H11FO4 — CID 117304993

IUPAC3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
SMILESCOc1cc(F)c(O)cc1CCC(=O)O
InChIInChI=1S/C10H11FO4/c1-15-9-5-7(11)8(12)4-6(9)2-3-10(13)14/h4-5,12H,2-3H2,1H3,(H,13,14)
InChIKeyJDPXEOGMPXCQGV-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.56
Rot. Bonds4

About 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid

3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid (PubChem CID 117304993) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
PubChem CID117304993
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
SMILESCOc1cc(F)c(O)cc1CCC(=O)O
InChIInChI=1S/C10H11FO4/c1-15-9-5-7(11)8(12)4-6(9)2-3-10(13)14/h4-5,12H,2-3H2,1H3,(H,13,14)
InChIKeyJDPXEOGMPXCQGV-UHFFFAOYSA-N
XLogP1.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
CID 117290600
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
3-(5-cyano-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 117315274
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
2-(4-fluoro-5-hydroxy-2-methoxyphenyl)acetonitrile
CID 117278527
3-(2,3-difluoro-5,6-dimethoxyphenyl)propanoic acid
CID 117367256
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid (CID 117304993) is 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid is COc1cc(F)c(O)cc1CCC(=O)O.
What is the InChIKey of 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid?
The InChIKey is JDPXEOGMPXCQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-15-9-5-7(11)8(12)4-6(9)2-3-10(13)14/h4-5,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid?
3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117304993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).