3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid

C13H15FO3 — CID 117348794

IUPAC3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(O)c(F)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C13H15FO3/c1-7-4-10(13(14)11(15)5-7)9(6-12(16)17)8-2-3-8/h4-5,8-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyAVVRBUBLURWYFC-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.81
Rot. Bonds4

About 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid

3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid (PubChem CID 117348794) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
PubChem CID117348794
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(O)c(F)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C13H15FO3/c1-7-4-10(13(14)11(15)5-7)9(6-12(16)17)8-2-3-8/h4-5,8-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyAVVRBUBLURWYFC-UHFFFAOYSA-N
XLogP2.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
CID 117344917
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
3-cyclopropyl-3-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)propanoic acid
CID 117420226
3-(3-chloro-2,4,5-trifluorophenyl)-3-cyclopropylpropanoic acid
CID 117107877
4-(2-carboxy-1-cyclopropylethyl)-2,3,6-trifluorobenzoic acid
CID 117465468
3-cyclopropyl-3-[2,3-difluoro-5-(fluoromethyl)phenyl]propanoic acid
CID 117398801
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-cyclopropyl-3-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]propanoic acid
CID 117451453
2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
CID 117388767
3-cyclopropyl-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117433647

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid (CID 117348794) is 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid is Cc1cc(O)c(F)c(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid?
The InChIKey is AVVRBUBLURWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-7-4-10(13(14)11(15)5-7)9(6-12(16)17)8-2-3-8/h4-5,8-9,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid?
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 117348794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).