[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol

C15H13FO2 — CID 86766824

IUPAC[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1OC1c1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c16-12-8-6-11(7-9-12)14-15(18-14)13(17)10-4-2-1-3-5-10/h1-9,13-15,17H
InChIKeyRAAJMNAHIFRONW-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.00
Rot. Bonds3

About [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol

[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol (PubChem CID 86766824) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol
PubChem CID86766824
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1OC1c1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c16-12-8-6-11(7-9-12)14-15(18-14)13(17)10-4-2-1-3-5-10/h1-9,13-15,17H
InChIKeyRAAJMNAHIFRONW-UHFFFAOYSA-N
XLogP3.00
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.00
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 [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol?
The IUPAC name of [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol (CID 86766824) is [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol.
What is the SMILES notation for [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol?
The canonical SMILES for [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol is OC(c1ccccc1)C1OC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol?
The InChIKey is RAAJMNAHIFRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-12-8-6-11(7-9-12)14-15(18-14)13(17)10-4-2-1-3-5-10/h1-9,13-15,17H.
What are the key properties of [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol?
[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol has a molecular weight of 244.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanol is sourced from PubChem (CID 86766824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).