2-[(4-methoxyphenyl)methoxymethyl]oxirane

C11H14O3 — CID 2774076

IUPAC2-[(4-methoxyphenyl)methoxymethyl]oxirane
SMILESCOc1ccc(COCC2CO2)cc1
InChIInChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3
InChIKeyQWWVSLBMMUDNTB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.61
Rot. Bonds5

About 2-[(4-methoxyphenyl)methoxymethyl]oxirane

2-[(4-methoxyphenyl)methoxymethyl]oxirane (PubChem CID 2774076) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxymethyl]oxirane
PubChem CID2774076
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[(4-methoxyphenyl)methoxymethyl]oxirane
SMILESCOc1ccc(COCC2CO2)cc1
InChIInChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3
InChIKeyQWWVSLBMMUDNTB-UHFFFAOYSA-N
XLogP1.61
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.61
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 2-[(4-methoxyphenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(4-methoxyphenyl)methoxymethyl]oxirane (CID 2774076) is 2-[(4-methoxyphenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxymethyl]oxirane is COc1ccc(COCC2CO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxymethyl]oxirane?
The InChIKey is QWWVSLBMMUDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxymethyl]oxirane?
2-[(4-methoxyphenyl)methoxymethyl]oxirane has a molecular weight of 194.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 2774076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).