3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid

C12H15FO3 — CID 146556898

IUPAC3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(O)c(CCF)c1)C(=O)O
InChIInChI=1S/C12H15FO3/c1-8(12(15)16)6-9-2-3-11(14)10(7-9)4-5-13/h2-3,7-8,14H,4-6H2,1H3,(H,15,16)
InChIKeyGKRVNMWMSSOIFS-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.17
Rot. Bonds5

About 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid

3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid (PubChem CID 146556898) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
PubChem CID146556898
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(O)c(CCF)c1)C(=O)O
InChIInChI=1S/C12H15FO3/c1-8(12(15)16)6-9-2-3-11(14)10(7-9)4-5-13/h2-3,7-8,14H,4-6H2,1H3,(H,15,16)
InChIKeyGKRVNMWMSSOIFS-UHFFFAOYSA-N
XLogP2.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-methylpropanoic acid
CID 70475803
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 84706478
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84668107

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid (CID 146556898) is 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid is CC(Cc1ccc(O)c(CCF)c1)C(=O)O.
What is the InChIKey of 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid?
The InChIKey is GKRVNMWMSSOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(12(15)16)6-9-2-3-11(14)10(7-9)4-5-13/h2-3,7-8,14H,4-6H2,1H3,(H,15,16).
What are the key properties of 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid?
3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid is sourced from PubChem (CID 146556898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).