(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane

C11H13FO3 — CID 97180114

IUPAC(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
SMILESCOc1ccc(COC[C@H]2CO2)cc1F
InChIInChI=1S/C11H13FO3/c1-13-11-3-2-8(4-10(11)12)5-14-6-9-7-15-9/h2-4,9H,5-7H2,1H3/t9-/m0/s1
InChIKeyXPKMZEIUASIGBH-VIFPVBQESA-N
MW212.22 g/mol
LogP1.75
Rot. Bonds5

About (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane

(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane (PubChem CID 97180114) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
PubChem CID97180114
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
SMILESCOc1ccc(COC[C@H]2CO2)cc1F
InChIInChI=1S/C11H13FO3/c1-13-11-3-2-8(4-10(11)12)5-14-6-9-7-15-9/h2-4,9H,5-7H2,1H3/t9-/m0/s1
InChIKeyXPKMZEIUASIGBH-VIFPVBQESA-N
XLogP1.75
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.75
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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Related Compounds

(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 97180071
2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 102548209
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
(2S)-2-[(2,4,5-trimethoxyphenyl)methoxymethyl]oxirane
CID 97180099
1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64572108
2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane
CID 164766765
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175343133
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
CID 97180096
1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
CID 98018148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane?
The IUPAC name of (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane (CID 97180114) is (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane is COc1ccc(COC[C@H]2CO2)cc1F.
What is the InChIKey of (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane?
The InChIKey is XPKMZEIUASIGBH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FO3/c1-13-11-3-2-8(4-10(11)12)5-14-6-9-7-15-9/h2-4,9H,5-7H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane?
(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane has a molecular weight of 212.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 97180114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).