3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid

C14H17FO4 — CID 175256036

IUPAC3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C14H17FO4/c15-12-7-9(8-13(16)14(17)18)1-2-11(12)10-3-5-19-6-4-10/h1-2,7,10,13,16H,3-6,8H2,(H,17,18)
InChIKeyQGHCYWRXUNDFHU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.71
Rot. Bonds4

About 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid

3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid (PubChem CID 175256036) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
PubChem CID175256036
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C14H17FO4/c15-12-7-9(8-13(16)14(17)18)1-2-11(12)10-3-5-19-6-4-10/h1-2,7,10,13,16H,3-6,8H2,(H,17,18)
InChIKeyQGHCYWRXUNDFHU-UHFFFAOYSA-N
XLogP1.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
CID 122703374
4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
4-(2-fluoro-4-propylphenyl)oxane
CID 153081672
(2S)-3-[4-(cyclohexen-1-yl)-3-fluorophenyl]-2-hydroxypropanoic acid
CID 122703500
2-fluoro-6-(oxan-4-yl)phenol
CID 117104483
(4-cyclopropyl-3-fluorophenyl)methanol;ethane
CID 144930453
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
3-amino-2-[3-chloro-4-(oxan-4-yl)phenyl]propanoic acid
CID 117456082
4-cyclopropyl-3-fluorophenol
CID 83131228
1-cyclopentyl-2-fluoro-4-(2-methyl-3-methylidene-5-phenylpentyl)benzene
CID 142354572
N-[(4-cyclohexyl-3-fluorophenyl)methyl]hydroxylamine
CID 117320222
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
CID 119048905

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid?
The IUPAC name of 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid (CID 175256036) is 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid is O=C(O)C(O)Cc1ccc(C2CCOCC2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid?
The InChIKey is QGHCYWRXUNDFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c15-12-7-9(8-13(16)14(17)18)1-2-11(12)10-3-5-19-6-4-10/h1-2,7,10,13,16H,3-6,8H2,(H,17,18).
What are the key properties of 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid?
3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 175256036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).