2-methyl-3-[(3-methylphenoxy)methyl]oxirane

C11H14O2 — CID 12882728

IUPAC2-methyl-3-[(3-methylphenoxy)methyl]oxirane
SMILESCc1cccc(OCC2OC2C)c1
InChIInChI=1S/C11H14O2/c1-8-4-3-5-10(6-8)12-7-11-9(2)13-11/h3-6,9,11H,7H2,1-2H3
InChIKeyGXDXBNOYDDDMIV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-3-[(3-methylphenoxy)methyl]oxirane

2-methyl-3-[(3-methylphenoxy)methyl]oxirane (PubChem CID 12882728) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[(3-methylphenoxy)methyl]oxirane
PubChem CID12882728
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methyl-3-[(3-methylphenoxy)methyl]oxirane
SMILESCc1cccc(OCC2OC2C)c1
InChIInChI=1S/C11H14O2/c1-8-4-3-5-10(6-8)12-7-11-9(2)13-11/h3-6,9,11H,7H2,1-2H3
InChIKeyGXDXBNOYDDDMIV-UHFFFAOYSA-N
XLogP2.16
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-3-[[3-[(3-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane;2-methyl-3-[[4-[[4-[(3-methyloxiran-2-yl)methoxy]phenyl]methyl]phenoxy]methyl]oxirane
CID 159836491
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
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2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
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CID 46849851
ethane;1-ethoxy-3-methylbenzene;methanol
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1-methyl-2-[(3-methylphenoxy)methyl]benzene
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5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane
CID 102280719
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1-(3-iodopropoxy)-3-methylbenzene
CID 64788353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylphenoxy)methyl]oxirane?
The IUPAC name of 2-methyl-3-[(3-methylphenoxy)methyl]oxirane (CID 12882728) is 2-methyl-3-[(3-methylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-methyl-3-[(3-methylphenoxy)methyl]oxirane?
The canonical SMILES for 2-methyl-3-[(3-methylphenoxy)methyl]oxirane is Cc1cccc(OCC2OC2C)c1.
What is the InChIKey of 2-methyl-3-[(3-methylphenoxy)methyl]oxirane?
The InChIKey is GXDXBNOYDDDMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-4-3-5-10(6-8)12-7-11-9(2)13-11/h3-6,9,11H,7H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-methylphenoxy)methyl]oxirane?
2-methyl-3-[(3-methylphenoxy)methyl]oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 12882728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).