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

C15H12ClFO2 — CID 14693341

IUPAC[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
SMILESOC[C@@]1(c2ccc(F)cc2)O[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H12ClFO2/c16-13-4-2-1-3-12(13)14-15(9-18,19-14)10-5-7-11(17)8-6-10/h1-8,14,18H,9H2/t14-,15-/m0/s1
InChIKeyUIDGXRLUAXSGDA-GJZGRUSLSA-N
MW278.71 g/mol
LogP3.44
Rot. Bonds3

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

[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol (PubChem CID 14693341) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
PubChem CID14693341
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
SMILESOC[C@@]1(c2ccc(F)cc2)O[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H12ClFO2/c16-13-4-2-1-3-12(13)14-15(9-18,19-14)10-5-7-11(17)8-6-10/h1-8,14,18H,9H2/t14-,15-/m0/s1
InChIKeyUIDGXRLUAXSGDA-GJZGRUSLSA-N
XLogP3.44
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.44
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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Related Compounds

2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 44424015
(2,3-Diphenyloxiran-2-yl)methanol
CID 296656
2,3-Bis(2-chlorophenyl)oxirane
CID 300919
2-(((2-Chlorophenyl)methoxy)methyl)oxirane
CID 4387168
(2S,3R,4R,5R)-2-[4-chloro-3-[(4-fluorophenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 73348016
(S,S)-(+)-1,2-Bis(2-chlorophenyl)-1,2-ethanediol
CID 4064336
Chlorophenyl glycidol
CID 11074080
[(2R,3R)-2,3-diphenyloxiran-2-yl]methanol
CID 11356574
US8815951, Epoxide Hydrolase Inhibitor 7
CID 86766824
[3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
CID 14693340
2-(Chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane
CID 45356826
2-{[Bis(4-chlorophenyl)methoxy]methyl}oxirane
CID 43810597

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol (CID 14693341) is [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol is OC[C@@]1(c2ccc(F)cc2)O[C@H]1c1ccccc1Cl.
What is the InChIKey of [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol?
The InChIKey is UIDGXRLUAXSGDA-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-13-4-2-1-3-12(13)14-15(9-18,19-14)10-5-7-11(17)8-6-10/h1-8,14,18H,9H2/t14-,15-/m0/s1.
What are the key properties of [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol?
[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol has a molecular weight of 278.71 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 14693341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).