(4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone

C20H19FO4 — CID 139234432

IUPAC(4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1OC1c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C20H19FO4/c21-15-8-4-13(5-9-15)18(22)20-19(25-20)14-6-10-16(11-7-14)24-17-3-1-2-12-23-17/h4-11,17,19-20H,1-3,12H2
InChIKeyUFNOSPAFDOCVTA-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.05
Rot. Bonds5

About (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone

(4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone (PubChem CID 139234432) has the molecular formula C20H19FO4 and a molecular weight of 342.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone
PubChem CID139234432
Molecular FormulaC20H19FO4
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name(4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1OC1c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C20H19FO4/c21-15-8-4-13(5-9-15)18(22)20-19(25-20)14-6-10-16(11-7-14)24-17-3-1-2-12-23-17/h4-11,17,19-20H,1-3,12H2
InChIKeyUFNOSPAFDOCVTA-UHFFFAOYSA-N
XLogP4.05
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
4-(oxan-2-yloxy)phenol
CID 11745519
2-(4-fluorophenyl)-N-methyl-5-[4-(oxan-2-yloxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275605
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
(4-methoxyphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 14784200
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
[(2R,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-(4-methylphenyl)methanone
CID 2421215
CID 168763543
CID 168763543
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone (CID 139234432) is (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone is O=C(c1ccc(F)cc1)C1OC1c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone?
The InChIKey is UFNOSPAFDOCVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO4/c21-15-8-4-13(5-9-15)18(22)20-19(25-20)14-6-10-16(11-7-14)24-17-3-1-2-12-23-17/h4-11,17,19-20H,1-3,12H2.
What are the key properties of (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone?
(4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone has a molecular weight of 342.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[4-(oxan-2-yloxy)phenyl]oxiran-2-yl]methanone is sourced from PubChem (CID 139234432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).