3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid

C18H19FO4 — CID 166242302

IUPAC3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
SMILESCC(C)(O)c1ccc(-c2cccc(OCCC(=O)O)c2)c(F)c1
InChIInChI=1S/C18H19FO4/c1-18(2,22)13-6-7-15(16(19)11-13)12-4-3-5-14(10-12)23-9-8-17(20)21/h3-7,10-11,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyVZAPIKQRQVGZMA-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.57
Rot. Bonds6

About 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid

3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid (PubChem CID 166242302) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
PubChem CID166242302
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
SMILESCC(C)(O)c1ccc(-c2cccc(OCCC(=O)O)c2)c(F)c1
InChIInChI=1S/C18H19FO4/c1-18(2,22)13-6-7-15(16(19)11-13)12-4-3-5-14(10-12)23-9-8-17(20)21/h3-7,10-11,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyVZAPIKQRQVGZMA-UHFFFAOYSA-N
XLogP3.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 101345988
3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid
CID 171854743
2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
CID 166242317
2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid
CID 167987075
2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
4-tert-butyl-2-(3-ethoxyphenyl)-1-fluorobenzene
CID 58049401
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
CID 131885829
CID 131885829
ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
CID 13423264
3-(3-fluorophenoxy)propanenitrile;3-(3-fluorophenoxy)propanoic acid
CID 161047261
3-[4-[tris(3,5-ditert-butylphenyl)methyl]phenoxy]propanoic acid
CID 102176985

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid?
The IUPAC name of 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid (CID 166242302) is 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid is CC(C)(O)c1ccc(-c2cccc(OCCC(=O)O)c2)c(F)c1.
What is the InChIKey of 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid?
The InChIKey is VZAPIKQRQVGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-18(2,22)13-6-7-15(16(19)11-13)12-4-3-5-14(10-12)23-9-8-17(20)21/h3-7,10-11,22H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid?
3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid has a molecular weight of 318.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid is sourced from PubChem (CID 166242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).