(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane

C23H21FO3 — CID 87755894

IUPAC(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane
SMILESCc1ccccc1-c1c(F)ccc(OC[C@H]2CO2)c1OCc1ccccc1
InChIInChI=1S/C23H21FO3/c1-16-7-5-6-10-19(16)22-20(24)11-12-21(26-15-18-14-25-18)23(22)27-13-17-8-3-2-4-9-17/h2-12,18H,13-15H2,1H3/t18-/m1/s1
InChIKeyHSXGWMCCVSSGTK-GOSISDBHSA-N
MW364.42 g/mol
LogP5.16
Rot. Bonds7

About (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane

(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane (PubChem CID 87755894) has the molecular formula C23H21FO3 and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane
PubChem CID87755894
Molecular FormulaC23H21FO3
Molecular Weight364.42 g/mol
Exact Mass364.15
IUPAC Name(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane
SMILESCc1ccccc1-c1c(F)ccc(OC[C@H]2CO2)c1OCc1ccccc1
InChIInChI=1S/C23H21FO3/c1-16-7-5-6-10-19(16)22-20(24)11-12-21(26-15-18-14-25-18)23(22)27-13-17-8-3-2-4-9-17/h2-12,18H,13-15H2,1H3/t18-/m1/s1
InChIKeyHSXGWMCCVSSGTK-GOSISDBHSA-N
XLogP5.16
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane (CID 87755894) is (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane is Cc1ccccc1-c1c(F)ccc(OC[C@H]2CO2)c1OCc1ccccc1.
What is the InChIKey of (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane?
The InChIKey is HSXGWMCCVSSGTK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21FO3/c1-16-7-5-6-10-19(16)22-20(24)11-12-21(26-15-18-14-25-18)23(22)27-13-17-8-3-2-4-9-17/h2-12,18H,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane?
(2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane has a molecular weight of 364.42 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-fluoro-3-(2-methylphenyl)-2-phenylmethoxyphenoxy]methyl]oxirane is sourced from PubChem (CID 87755894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).