2-[2-(2-methylphenoxy)ethoxymethyl]oxirane

C12H16O3 — CID 13013247

IUPAC2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
SMILESCc1ccccc1OCCOCC1CO1
InChIInChI=1S/C12H16O3/c1-10-4-2-3-5-12(10)14-7-6-13-8-11-9-15-11/h2-5,11H,6-9H2,1H3
InChIKeyXUBIVPXSEIPCHM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane

2-[2-(2-methylphenoxy)ethoxymethyl]oxirane (PubChem CID 13013247) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
PubChem CID13013247
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
SMILESCc1ccccc1OCCOCC1CO1
InChIInChI=1S/C12H16O3/c1-10-4-2-3-5-12(10)14-7-6-13-8-11-9-15-11/h2-5,11H,6-9H2,1H3
InChIKeyXUBIVPXSEIPCHM-UHFFFAOYSA-N
XLogP1.79
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methylphenyl)peroxymethyl]oxirane
CID 23529975
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane
CID 155190944
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
CID 126511463
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[2-[2-methyl-4-[3-methyl-5-[[3-methyl-5-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-2-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-phenylmethyl]-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 155033612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane (CID 13013247) is 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane is Cc1ccccc1OCCOCC1CO1.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane?
The InChIKey is XUBIVPXSEIPCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-10-4-2-3-5-12(10)14-7-6-13-8-11-9-15-11/h2-5,11H,6-9H2,1H3.
What are the key properties of 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane?
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane has a molecular weight of 208.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 13013247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).