[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol

C16H15FO2 — CID 88506424

IUPAC[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol
SMILESCc1ccccc1[C@@H]1O[C@@]1(CO)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-11-4-2-3-5-14(11)15-16(10-18,19-15)12-6-8-13(17)9-7-12/h2-9,15,18H,10H2,1H3/t15-,16-/m0/s1
InChIKeyUFDSKOAURIRQFO-HOTGVXAUSA-N
MW258.29 g/mol
LogP3.09
Rot. Bonds3

About [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol

[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol (PubChem CID 88506424) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol
PubChem CID88506424
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol
SMILESCc1ccccc1[C@@H]1O[C@@]1(CO)c1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-11-4-2-3-5-14(11)15-16(10-18,19-15)12-6-8-13(17)9-7-12/h2-9,15,18H,10H2,1H3/t15-,16-/m0/s1
InChIKeyUFDSKOAURIRQFO-HOTGVXAUSA-N
XLogP3.09
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol (CID 88506424) is [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol is Cc1ccccc1[C@@H]1O[C@@]1(CO)c1ccc(F)cc1.
What is the InChIKey of [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol?
The InChIKey is UFDSKOAURIRQFO-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-4-2-3-5-14(11)15-16(10-18,19-15)12-6-8-13(17)9-7-12/h2-9,15,18H,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol?
[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol has a molecular weight of 258.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 88506424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).