(4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol

C15H12ClFO2 — CID 14157414

IUPAC(4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccccc1F)C1CO1
InChIInChI=1S/C15H12ClFO2/c16-11-7-5-10(6-8-11)15(18,14-9-19-14)12-3-1-2-4-13(12)17/h1-8,14,18H,9H2
InChIKeyQZRVYBFDFHQDFU-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.11
Rot. Bonds3

About (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol

(4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol (PubChem CID 14157414) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol
PubChem CID14157414
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccccc1F)C1CO1
InChIInChI=1S/C15H12ClFO2/c16-11-7-5-10(6-8-11)15(18,14-9-19-14)12-3-1-2-4-13(12)17/h1-8,14,18H,9H2
InChIKeyQZRVYBFDFHQDFU-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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 (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol (CID 14157414) is (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol is OC(c1ccc(Cl)cc1)(c1ccccc1F)C1CO1.
What is the InChIKey of (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol?
The InChIKey is QZRVYBFDFHQDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-11-7-5-10(6-8-11)15(18,14-9-19-14)12-3-1-2-4-13(12)17/h1-8,14,18H,9H2.
What are the key properties of (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol?
(4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol has a molecular weight of 278.71 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-fluorophenyl)-(oxiran-2-yl)methanol is sourced from PubChem (CID 14157414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).