2-[(4-methoxyphenoxy)methyl]oxirane

C10H12O3 — CID 16646

IUPAC2-[(4-methoxyphenoxy)methyl]oxirane
SMILESCOc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyAVWGFHZLPMLKBL-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.47
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]oxirane

2-[(4-methoxyphenoxy)methyl]oxirane (PubChem CID 16646) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]oxirane
PubChem CID16646
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-[(4-methoxyphenoxy)methyl]oxirane
SMILESCOc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyAVWGFHZLPMLKBL-UHFFFAOYSA-N
XLogP1.47
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.47
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

Phenoxyethanol
CID 31236
Phenyl glycidyl ether
CID 31217
1-Phenoxy-2-propanol
CID 92839
1,4-Dimethoxybenzene
CID 9016
4-Ethoxyphenol
CID 12150
Cresyl glycidyl ether
CID 16606
Resorcinol diglycidyl ether
CID 7586
Phenetole
CID 7674
Sodium 2-(4-methoxyphenoxy)propanoate
CID 23670520
o-CRESYL GLYCIDYL ETHER
CID 16640
Phenoxyethyl propionate
CID 31954
2-Phenoxy-1-propanol
CID 20129

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]oxirane?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]oxirane (CID 16646) is 2-[(4-methoxyphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]oxirane is COc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]oxirane?
The InChIKey is AVWGFHZLPMLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]oxirane?
2-[(4-methoxyphenoxy)methyl]oxirane has a molecular weight of 180.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]oxirane is sourced from PubChem (CID 16646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).