2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid

C13H15FO3 — CID 146417244

IUPAC2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1C1CCCCO1
InChIInChI=1S/C13H15FO3/c14-10-4-5-11(9(7-10)8-13(15)16)12-3-1-2-6-17-12/h4-5,7,12H,1-3,6,8H2,(H,15,16)
InChIKeyLVYMVTSRTPIMEV-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.69
Rot. Bonds3

About 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid

2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid (PubChem CID 146417244) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
PubChem CID146417244
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1C1CCCCO1
InChIInChI=1S/C13H15FO3/c14-10-4-5-11(9(7-10)8-13(15)16)12-3-1-2-6-17-12/h4-5,7,12H,1-3,6,8H2,(H,15,16)
InChIKeyLVYMVTSRTPIMEV-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125
3,4-bis(oxan-2-yl)phthalic acid
CID 19893202
[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
CID 123620746
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
3-[3-(3-chloro-4-fluorophenyl)-2-oxopropyl]-N-ethyl-4-(oxan-2-yl)benzenesulfonamide
CID 160887222
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 102919764
2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027246
methyl 3-hydroxy-4-(oxan-2-yl)benzoate
CID 14046868
[(2S)-oxan-2-yl]methyl 2-(2-bromo-5-fluorophenyl)acetate
CID 99642168
2-[5-fluoro-2-(iodomethyl)phenyl]acetic acid
CID 91883853
2-(2-fluoro-5-methylphenyl)oxane
CID 142365700

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid (CID 146417244) is 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid is O=C(O)Cc1cc(F)ccc1C1CCCCO1.
What is the InChIKey of 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid?
The InChIKey is LVYMVTSRTPIMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-10-4-5-11(9(7-10)8-13(15)16)12-3-1-2-6-17-12/h4-5,7,12H,1-3,6,8H2,(H,15,16).
What are the key properties of 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid?
2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 146417244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).