(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol

C12H15FO3 — CID 171124936

IUPAC(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol
SMILESCc1ccc(OC[C@@H]2C[C@H](F)[C@@H](O)O2)cc1
InChIInChI=1S/C12H15FO3/c1-8-2-4-9(5-3-8)15-7-10-6-11(13)12(14)16-10/h2-5,10-12,14H,6-7H2,1H3/t10-,11-,12-/m0/s1
InChIKeyXTPJNHCEJZACDE-SRVKXCTJSA-N
MW226.25 g/mol
LogP1.82
Rot. Bonds3

About (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol

(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol (PubChem CID 171124936) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol.

Molecular Properties

Compound Name(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol
PubChem CID171124936
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol
SMILESCc1ccc(OC[C@@H]2C[C@H](F)[C@@H](O)O2)cc1
InChIInChI=1S/C12H15FO3/c1-8-2-4-9(5-3-8)15-7-10-6-11(13)12(14)16-10/h2-5,10-12,14H,6-7H2,1H3/t10-,11-,12-/m0/s1
InChIKeyXTPJNHCEJZACDE-SRVKXCTJSA-N
XLogP1.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol?
The IUPAC name of (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol (CID 171124936) is (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol.
What is the SMILES notation for (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol?
The canonical SMILES for (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol is Cc1ccc(OC[C@@H]2C[C@H](F)[C@@H](O)O2)cc1.
What is the InChIKey of (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol?
The InChIKey is XTPJNHCEJZACDE-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8-2-4-9(5-3-8)15-7-10-6-11(13)12(14)16-10/h2-5,10-12,14H,6-7H2,1H3/t10-,11-,12-/m0/s1.
What are the key properties of (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol?
(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol has a molecular weight of 226.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol is sourced from PubChem (CID 171124936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).