2-[[2-(ethoxymethyl)phenyl]methyl]oxirane

C12H16O2 — CID 151772121

IUPAC2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
SMILESCCOCc1ccccc1CC1CO1
InChIInChI=1S/C12H16O2/c1-2-13-8-11-6-4-3-5-10(11)7-12-9-14-12/h3-6,12H,2,7-9H2,1H3
InChIKeyRSUIVYMTPHKQAY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.16
Rot. Bonds5

About 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane

2-[[2-(ethoxymethyl)phenyl]methyl]oxirane (PubChem CID 151772121) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
PubChem CID151772121
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
SMILESCCOCc1ccccc1CC1CO1
InChIInChI=1S/C12H16O2/c1-2-13-8-11-6-4-3-5-10(11)7-12-9-14-12/h3-6,12H,2,7-9H2,1H3
InChIKeyRSUIVYMTPHKQAY-UHFFFAOYSA-N
XLogP2.16
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
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

methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
ethoxymethylbenzene;oxiran-2-ylmethanol
CID 174298824
[2-(oxiran-2-ylmethyl)phenyl] acetate
CID 14713764
4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
CID 54861693
N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658557
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
3-[(2-ethylphenyl)methoxymethyl]oxetane
CID 150275433
2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
CID 91802357
2-[[(2R)-oxiran-2-yl]methyl]benzonitrile
CID 15016400

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane?
The IUPAC name of 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane (CID 151772121) is 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane?
The canonical SMILES for 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane is CCOCc1ccccc1CC1CO1.
What is the InChIKey of 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane?
The InChIKey is RSUIVYMTPHKQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-13-8-11-6-4-3-5-10(11)7-12-9-14-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane?
2-[[2-(ethoxymethyl)phenyl]methyl]oxirane has a molecular weight of 192.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxymethyl)phenyl]methyl]oxirane is sourced from PubChem (CID 151772121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).